2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride

C12H19ClN4O2 — CID 119288546

IUPAC2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NC(C)c1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-7(13)11(17)15-8(2)9-3-5-10(6-4-9)16-12(14)18;/h3-8H,13H2,1-2H3,(H,15,17)(H3,14,16,18);1H
InChIKeyQNKAIPOPEHLZPE-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride

2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119288546) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119288546
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NC(C)c1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-7(13)11(17)15-8(2)9-3-5-10(6-4-9)16-12(14)18;/h3-8H,13H2,1-2H3,(H,15,17)(H3,14,16,18);1H
InChIKeyQNKAIPOPEHLZPE-UHFFFAOYSA-N
XLogP1.12
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride (CID 119288546) is 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride is CC(N)C(=O)NC(C)c1ccc(NC(N)=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is QNKAIPOPEHLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-7(13)11(17)15-8(2)9-3-5-10(6-4-9)16-12(14)18;/h3-8H,13H2,1-2H3,(H,15,17)(H3,14,16,18);1H.
What are the key properties of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119288546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).