2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide

C20H29N3O2 — CID 35269989

IUPAC2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCC(=O)N1CCCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-17(24)23-12-6-11-22(13-14-23)15-19(25)21-16-20(9-5-10-20)18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-16H2,1H3,(H,21,25)
InChIKeyDNMQFVWAIMTYAV-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.78
Rot. Bonds5

About 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide

2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 35269989) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID35269989
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCC(=O)N1CCCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-17(24)23-12-6-11-22(13-14-23)15-19(25)21-16-20(9-5-10-20)18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-16H2,1H3,(H,21,25)
InChIKeyDNMQFVWAIMTYAV-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55827578
2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 71932300
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 120773560

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 35269989) is 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide is CC(=O)N1CCCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1.
What is the InChIKey of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is DNMQFVWAIMTYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-17(24)23-12-6-11-22(13-14-23)15-19(25)21-16-20(9-5-10-20)18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-16H2,1H3,(H,21,25).
What are the key properties of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 35269989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).