N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride

C12H19ClN4O2 — CID 119383618

IUPACN-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NCCN.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-9(11(17)14-8-7-13)15-12(18)16-10-5-3-2-4-6-10;/h2-6,9H,7-8,13H2,1H3,(H,14,17)(H2,15,16,18);1H
InChIKeyAOFBBUBXFKINEA-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.69
Rot. Bonds5

About N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride

N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride (PubChem CID 119383618) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
PubChem CID119383618
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC NameN-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NCCN.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-9(11(17)14-8-7-13)15-12(18)16-10-5-3-2-4-6-10;/h2-6,9H,7-8,13H2,1H3,(H,14,17)(H2,15,16,18);1H
InChIKeyAOFBBUBXFKINEA-UHFFFAOYSA-N
XLogP0.69
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
N-[2-(2-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 78778978
(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
CID 102092289
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
CID 119598761
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119602707
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride (CID 119383618) is N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride is CC(NC(=O)Nc1ccccc1)C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The InChIKey is AOFBBUBXFKINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-9(11(17)14-8-7-13)15-12(18)16-10-5-3-2-4-6-10;/h2-6,9H,7-8,13H2,1H3,(H,14,17)(H2,15,16,18);1H.
What are the key properties of N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride?
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride is sourced from PubChem (CID 119383618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).