N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide

C15H23N3O2 — CID 43610700

IUPACN-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N(C)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-11(18(2)14-6-8-20-9-7-14)15(19)17-13-5-3-4-12(16)10-13/h3-5,10-11,14H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyIQKDGWFXZWUROP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds4

About N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide

N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide (PubChem CID 43610700) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
PubChem CID43610700
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N(C)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-11(18(2)14-6-8-20-9-7-14)15(19)17-13-5-3-4-12(16)10-13/h3-5,10-11,14H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyIQKDGWFXZWUROP-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide (CID 43610700) is N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide is CC(C(=O)Nc1cccc(N)c1)N(C)C1CCOCC1.
What is the InChIKey of N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide?
The InChIKey is IQKDGWFXZWUROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(18(2)14-6-8-20-9-7-14)15(19)17-13-5-3-4-12(16)10-13/h3-5,10-11,14H,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide?
N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide is sourced from PubChem (CID 43610700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).