N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide

C17H27N3O — CID 43613799

IUPACN-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N(C)C1CCCCCC1
InChIInChI=1S/C17H27N3O/c1-13(20(2)16-10-5-3-4-6-11-16)17(21)19-15-9-7-8-14(18)12-15/h7-9,12-13,16H,3-6,10-11,18H2,1-2H3,(H,19,21)
InChIKeyCXLUWWZGFPYYSU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds4

About N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide

N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide (PubChem CID 43613799) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
PubChem CID43613799
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N(C)C1CCCCCC1
InChIInChI=1S/C17H27N3O/c1-13(20(2)16-10-5-3-4-6-11-16)17(21)19-15-9-7-8-14(18)12-15/h7-9,12-13,16H,3-6,10-11,18H2,1-2H3,(H,19,21)
InChIKeyCXLUWWZGFPYYSU-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
CID 43610700
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
CID 55069368
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide (CID 43613799) is N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide is CC(C(=O)Nc1cccc(N)c1)N(C)C1CCCCCC1.
What is the InChIKey of N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide?
The InChIKey is CXLUWWZGFPYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(20(2)16-10-5-3-4-6-11-16)17(21)19-15-9-7-8-14(18)12-15/h7-9,12-13,16H,3-6,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide?
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide is sourced from PubChem (CID 43613799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).