(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C14H21N3O3 — CID 51647471

IUPAC(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C14H21N3O3/c1-8-5-6-12(20-4)11(7-8)9(2)16-13(18)10(3)17-14(15)19/h5-7,9-10H,1-4H3,(H,16,18)(H3,15,17,19)/t9-,10-/m1/s1
InChIKeyXERJYGXUWYCVHV-NXEZZACHSA-N
MW279.34 g/mol
LogP1.24
Rot. Bonds5

About (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 51647471) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID51647471
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C14H21N3O3/c1-8-5-6-12(20-4)11(7-8)9(2)16-13(18)10(3)17-14(15)19/h5-7,9-10H,1-4H3,(H,16,18)(H3,15,17,19)/t9-,10-/m1/s1
InChIKeyXERJYGXUWYCVHV-NXEZZACHSA-N
XLogP1.24
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
(2S)-2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272993
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 51647471) is (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)NC(N)=O.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is XERJYGXUWYCVHV-NXEZZACHSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-5-6-12(20-4)11(7-8)9(2)16-13(18)10(3)17-14(15)19/h5-7,9-10H,1-4H3,(H,16,18)(H3,15,17,19)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 51647471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).