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

C16H21N3O2 — CID 61426661

IUPACN-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
SMILESCc1occc1CN(C)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C16H21N3O2/c1-11(19(3)10-13-8-9-21-12(13)2)16(20)18-15-7-5-4-6-14(15)17/h4-9,11H,10,17H2,1-3H3,(H,18,20)
InChIKeyGGPJPVAEZPOVCG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds5

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

N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide (PubChem CID 61426661) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
PubChem CID61426661
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
SMILESCc1occc1CN(C)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C16H21N3O2/c1-11(19(3)10-13-8-9-21-12(13)2)16(20)18-15-7-5-4-6-14(15)17/h4-9,11H,10,17H2,1-3H3,(H,18,20)
InChIKeyGGPJPVAEZPOVCG-UHFFFAOYSA-N
XLogP2.63
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.63
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-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
CID 43458642
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide (CID 61426661) is N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide is Cc1occc1CN(C)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
The InChIKey is GGPJPVAEZPOVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(19(3)10-13-8-9-21-12(13)2)16(20)18-15-7-5-4-6-14(15)17/h4-9,11H,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide is sourced from PubChem (CID 61426661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).