N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide

C16H25N3O — CID 65071494

IUPACN-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-3-16(20)18-15-7-4-6-14(12-15)17-13-8-5-10-19(2)11-9-13/h4,6-7,12-13,17H,3,5,8-11H2,1-2H3,(H,18,20)
InChIKeyJUFOXKXSBKTWTK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.93
Rot. Bonds4

About N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide

N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide (PubChem CID 65071494) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
PubChem CID65071494
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-3-16(20)18-15-7-4-6-14(12-15)17-13-8-5-10-19(2)11-9-13/h4,6-7,12-13,17H,3,5,8-11H2,1-2H3,(H,18,20)
InChIKeyJUFOXKXSBKTWTK-UHFFFAOYSA-N
XLogP2.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]propanamide
CID 106593504
N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
CID 62702824
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
CID 65070020
N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
CID 75516708
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
N-(3-ethynylphenyl)-1-methylazepan-4-amine
CID 65071478

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide (CID 65071494) is N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC2CCCN(C)CC2)c1.
What is the InChIKey of N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide?
The InChIKey is JUFOXKXSBKTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-16(20)18-15-7-4-6-14(12-15)17-13-8-5-10-19(2)11-9-13/h4,6-7,12-13,17H,3,5,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide?
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 65071494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).