N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide

C13H19N3O2 — CID 81374015

IUPACN-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
SMILESCc1ccccc1[C@@H](C)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H19N3O2/c1-8-6-4-5-7-11(8)9(2)15-10(3)12(17)16-13(14)18/h4-7,9-10,15H,1-3H3,(H3,14,16,17,18)/t9-,10?/m1/s1
InChIKeyDCHDESNNKYBSGR-YHMJZVADSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds4

About N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide

N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide (PubChem CID 81374015) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
PubChem CID81374015
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
SMILESCc1ccccc1[C@@H](C)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H19N3O2/c1-8-6-4-5-7-11(8)9(2)15-10(3)12(17)16-13(14)18/h4-7,9-10,15H,1-3H3,(H3,14,16,17,18)/t9-,10?/m1/s1
InChIKeyDCHDESNNKYBSGR-YHMJZVADSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
(2S)-N-carbamoyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]propanamide
CID 8639441
2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027514
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide?
The IUPAC name of N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide (CID 81374015) is N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide is Cc1ccccc1[C@@H](C)NC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide?
The InChIKey is DCHDESNNKYBSGR-YHMJZVADSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-4-5-7-11(8)9(2)15-10(3)12(17)16-13(14)18/h4-7,9-10,15H,1-3H3,(H3,14,16,17,18)/t9-,10?/m1/s1.
What are the key properties of N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide?
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 81374015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).