N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide

C20H29N3O4 — CID 58659729

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide
SMILESCN(C=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C20H29N3O4/c1-21(15-24)14-17(13-16-7-2-3-8-16)19(25)22-10-4-5-11-23(22)20(26)18-9-6-12-27-18/h6,9,12,15-17H,2-5,7-8,10-11,13-14H2,1H3/t17-/m1/s1
InChIKeyHGGOMVGRVLKYLI-QGZVFWFLSA-N
MW375.47 g/mol
LogP2.54
Rot. Bonds7

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide (PubChem CID 58659729) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide
PubChem CID58659729
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide
SMILESCN(C=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C20H29N3O4/c1-21(15-24)14-17(13-16-7-2-3-8-16)19(25)22-10-4-5-11-23(22)20(26)18-9-6-12-27-18/h6,9,12,15-17H,2-5,7-8,10-11,13-14H2,1H3/t17-/m1/s1
InChIKeyHGGOMVGRVLKYLI-QGZVFWFLSA-N
XLogP2.54
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide with MolForge

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Related Compounds

N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 56683894
2-(cyclohexylmethyl)-4-(furan-2-yl)-4-oxobutanoic acid
CID 19378608
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 3822140
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 94815039
lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate
CID 23675499
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
azepan-1-yl(furan-2-yl)methanone
CID 5200992
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
(6S)-5-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(furan-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 157200656

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide (CID 58659729) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide is CN(C=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide?
The InChIKey is HGGOMVGRVLKYLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-21(15-24)14-17(13-16-7-2-3-8-16)19(25)22-10-4-5-11-23(22)20(26)18-9-6-12-27-18/h6,9,12,15-17H,2-5,7-8,10-11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide has a molecular weight of 375.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide is sourced from PubChem (CID 58659729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).