N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide

C13H19N3O2 — CID 47320879

IUPACN-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-8-4-6-11(7-5-8)9(2)15-10(3)12(17)16-13(14)18/h4-7,9-10,15H,1-3H3,(H3,14,16,17,18)
InChIKeyVROJZGRLDGDEQA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds4

About N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide

N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide (PubChem CID 47320879) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
PubChem CID47320879
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-8-4-6-11(7-5-8)9(2)15-10(3)12(17)16-13(14)18/h4-7,9-10,15H,1-3H3,(H3,14,16,17,18)
InChIKeyVROJZGRLDGDEQA-UHFFFAOYSA-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-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859207
(2R)-N-carbamoyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859233
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-carbamoylpropanamide
CID 9129644

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide (CID 47320879) is N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide is Cc1ccc(C(C)NC(C)C(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide?
The InChIKey is VROJZGRLDGDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-4-6-11(7-5-8)9(2)15-10(3)12(17)16-13(14)18/h4-7,9-10,15H,1-3H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide?
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]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-[1-(4-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 47320879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).