N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide

C17H35N3O3 — CID 134525802

IUPACN-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
SMILESCCC(C)C(NC(=O)CNC(=O)C(NC)C(C)C)C(CC)OC
InChIInChI=1S/C17H35N3O3/c1-8-12(5)16(13(9-2)23-7)20-14(21)10-19-17(22)15(18-6)11(3)4/h11-13,15-16,18H,8-10H2,1-7H3,(H,19,22)(H,20,21)
InChIKeyHFJVEJQNELCFBW-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.30
Rot. Bonds11

About N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide

N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide (PubChem CID 134525802) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
PubChem CID134525802
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC NameN-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
SMILESCCC(C)C(NC(=O)CNC(=O)C(NC)C(C)C)C(CC)OC
InChIInChI=1S/C17H35N3O3/c1-8-12(5)16(13(9-2)23-7)20-14(21)10-19-17(22)15(18-6)11(3)4/h11-13,15-16,18H,8-10H2,1-7H3,(H,19,22)(H,20,21)
InChIKeyHFJVEJQNELCFBW-UHFFFAOYSA-N
XLogP1.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide with MolForge

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Related Compounds

N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 170042358
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18294365
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 22700320
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18487702
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
CID 162738491
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
(3R,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanamide
CID 134458776
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18501961
3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 162518867

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide (CID 134525802) is N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide is CCC(C)C(NC(=O)CNC(=O)C(NC)C(C)C)C(CC)OC.
What is the InChIKey of N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is HFJVEJQNELCFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-8-12(5)16(13(9-2)23-7)20-14(21)10-19-17(22)15(18-6)11(3)4/h11-13,15-16,18H,8-10H2,1-7H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 329.49 g/mol, XLogP of 1.30, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 134525802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).