N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide

C13H20N4O2 — CID 43373924

IUPACN-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N(C)CC(N)=O
InChIInChI=1S/C13H20N4O2/c1-9(17(2)8-12(15)18)13(19)16-11-5-3-4-10(6-11)7-14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyZPXDKWADFLPZMH-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.11
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide

N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide (PubChem CID 43373924) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
PubChem CID43373924
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N(C)CC(N)=O
InChIInChI=1S/C13H20N4O2/c1-9(17(2)8-12(15)18)13(19)16-11-5-3-4-10(6-11)7-14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyZPXDKWADFLPZMH-UHFFFAOYSA-N
XLogP-0.11
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-(3-nitrophenyl)propanamide
CID 94150048
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693223
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 106916934
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374980

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide (CID 43373924) is N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide is CC(C(=O)Nc1cccc(CN)c1)N(C)CC(N)=O.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The InChIKey is ZPXDKWADFLPZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(17(2)8-12(15)18)13(19)16-11-5-3-4-10(6-11)7-14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide has a molecular weight of 264.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide is sourced from PubChem (CID 43373924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).