N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide

C20H30N4O4 — CID 145131155

IUPACN-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
SMILESCOC(C(C)C(=O)NC(CN)Cc1ccc(NC=O)cc1)C1CCCN1C=O
InChIInChI=1S/C20H30N4O4/c1-14(19(28-2)18-4-3-9-24(18)13-26)20(27)23-17(11-21)10-15-5-7-16(8-6-15)22-12-25/h5-8,12-14,17-19H,3-4,9-11,21H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyPZCQBBMFMLYRFF-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.51
Rot. Bonds11

About N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide

N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide (PubChem CID 145131155) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
PubChem CID145131155
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
SMILESCOC(C(C)C(=O)NC(CN)Cc1ccc(NC=O)cc1)C1CCCN1C=O
InChIInChI=1S/C20H30N4O4/c1-14(19(28-2)18-4-3-9-24(18)13-26)20(27)23-17(11-21)10-15-5-7-16(8-6-15)22-12-25/h5-8,12-14,17-19H,3-4,9-11,21H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyPZCQBBMFMLYRFF-UHFFFAOYSA-N
XLogP0.51
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-[3-amino-2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]propyl]phenyl]-5-(carbamoylamino)-2-(methylamino)pentanamide
CID 145131171
N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane
CID 144969699
3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide
CID 166824109
5-(carbamoylamino)-N-[4-[[[2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-(1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]phenyl]-2-(methylamino)pentanamide
CID 146429217
N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
CID 146429020
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanoyl]amino]-3-phenylpropanoate
CID 58069463
3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 155215709
methyl 2-[[3-[(2S)-1-[4-[(2-aminoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 130462393
3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(4-formamidophenyl)sulfinyl-3-methoxy-2-methylpropanamide
CID 166824102
(2R,3R)-3-[(2S)-1-acetylpyrrolidin-2-yl]-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 90277339
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,5S)-4-[formyl(methyl)amino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 88968163
(2R)-2-[(1-formylpyrrolidin-2-yl)-methoxymethyl]-3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)-N-(2-phenylethyl)butanamide
CID 174248325

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
The IUPAC name of N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide (CID 145131155) is N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide is COC(C(C)C(=O)NC(CN)Cc1ccc(NC=O)cc1)C1CCCN1C=O.
What is the InChIKey of N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
The InChIKey is PZCQBBMFMLYRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-14(19(28-2)18-4-3-9-24(18)13-26)20(27)23-17(11-21)10-15-5-7-16(8-6-15)22-12-25/h5-8,12-14,17-19H,3-4,9-11,21H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 0.51, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-formamidophenyl)propan-2-yl]-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 145131155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).