N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide

C18H25N3O3 — CID 97081489

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
SMILESO=C1C[C@H](c2ccccc2)N(CC(=O)NC[C@@H]2CCCO2)CCN1
InChIInChI=1S/C18H25N3O3/c22-17-11-16(14-5-2-1-3-6-14)21(9-8-19-17)13-18(23)20-12-15-7-4-10-24-15/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyHAQSCMMBOVPZFW-JKSUJKDBSA-N
MW331.42 g/mol
LogP0.84
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide (PubChem CID 97081489) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
PubChem CID97081489
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
SMILESO=C1C[C@H](c2ccccc2)N(CC(=O)NC[C@@H]2CCCO2)CCN1
InChIInChI=1S/C18H25N3O3/c22-17-11-16(14-5-2-1-3-6-14)21(9-8-19-17)13-18(23)20-12-15-7-4-10-24-15/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyHAQSCMMBOVPZFW-JKSUJKDBSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 124761822
N-[[(2S)-oxolan-2-yl]methyl]-2-[(7S)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 97081488
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426
2-(2-methyl-5-phenylmorpholin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 146129636
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124776476
(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
CID 97092180
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20953903

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide (CID 97081489) is N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide is O=C1C[C@H](c2ccccc2)N(CC(=O)NC[C@@H]2CCCO2)CCN1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide?
The InChIKey is HAQSCMMBOVPZFW-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-11-16(14-5-2-1-3-6-14)21(9-8-19-17)13-18(23)20-12-15-7-4-10-24-15/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 97081489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).