N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide

C16H25N3O2 — CID 62986882

IUPACN-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccccc2CN)CCCO1
InChIInChI=1S/C16H25N3O2/c1-13-12-19(8-4-10-21-13)9-7-16(20)18-15-6-3-2-5-14(15)11-17/h2-3,5-6,13H,4,7-12,17H2,1H3,(H,18,20)
InChIKeyRQBABGYFHLPYFP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide

N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide (PubChem CID 62986882) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
PubChem CID62986882
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccccc2CN)CCCO1
InChIInChI=1S/C16H25N3O2/c1-13-12-19(8-4-10-21-13)9-7-16(20)18-15-6-3-2-5-14(15)11-17/h2-3,5-6,13H,4,7-12,17H2,1H3,(H,18,20)
InChIKeyRQBABGYFHLPYFP-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
CID 63603834
3-(2-methylmorpholin-4-yl)-N-naphthalen-1-ylpropanamide
CID 46683190
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
CID 62987404
N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91841240
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide (CID 62986882) is N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide is CC1CN(CCC(=O)Nc2ccccc2CN)CCCO1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide?
The InChIKey is RQBABGYFHLPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-12-19(8-4-10-21-13)9-7-16(20)18-15-6-3-2-5-14(15)11-17/h2-3,5-6,13H,4,7-12,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide?
N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide is sourced from PubChem (CID 62986882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).