N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C19H29N3O2 — CID 124860560

IUPACN-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC(O)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-21-8-5-9-22(11-10-21)14-18(24)20-19(16-12-17(23)13-16)15-6-3-2-4-7-15/h2-4,6-7,16-17,19,23H,5,8-14H2,1H3,(H,20,24)/t16?,17?,19-/m1/s1
InChIKeyCOUAPUKMEVBWDS-FAFZWHIHSA-N
MW331.46 g/mol
LogP1.25
Rot. Bonds5

About N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 124860560) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID124860560
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC(O)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-21-8-5-9-22(11-10-21)14-18(24)20-19(16-12-17(23)13-16)15-6-3-2-4-7-15/h2-4,6-7,16-17,19,23H,5,8-14H2,1H3,(H,20,24)/t16?,17?,19-/m1/s1
InChIKeyCOUAPUKMEVBWDS-FAFZWHIHSA-N
XLogP1.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]acetamide
CID 124750124
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 98764094
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 51926082
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;formic acid
CID 154907167
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 124860560) is N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CN1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC(O)C2)CC1.
What is the InChIKey of N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is COUAPUKMEVBWDS-FAFZWHIHSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-8-5-9-22(11-10-21)14-18(24)20-19(16-12-17(23)13-16)15-6-3-2-4-7-15/h2-4,6-7,16-17,19,23H,5,8-14H2,1H3,(H,20,24)/t16?,17?,19-/m1/s1.
What are the key properties of N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 124860560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).