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

C16H25N3O2 — CID 63725564

IUPACN-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1N)CC1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-19(12-13-7-10-21-11-8-13)9-6-16(20)18-15-5-3-2-4-14(15)17/h2-5,13H,6-12,17H2,1H3,(H,18,20)
InChIKeyIVZBRLKCHSGOEV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.96
Rot. Bonds6

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

N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide (PubChem CID 63725564) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
PubChem CID63725564
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1N)CC1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-19(12-13-7-10-21-11-8-13)9-6-16(20)18-15-5-3-2-4-14(15)17/h2-5,13H,6-12,17H2,1H3,(H,18,20)
InChIKeyIVZBRLKCHSGOEV-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.96
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

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CID 54884484
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
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N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82732171
N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide
CID 62996449
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
CID 63711302
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide (CID 63725564) is N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1ccccc1N)CC1CCOCC1.
What is the InChIKey of N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The InChIKey is IVZBRLKCHSGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(12-13-7-10-21-11-8-13)9-6-16(20)18-15-5-3-2-4-14(15)17/h2-5,13H,6-12,17H2,1H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 63725564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).