(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide

C15H23N3O3 — CID 2713290

IUPAC(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC
InChIInChI=1S/C15H23N3O3/c1-4-10(2)13(18-15(16)20)14(19)17-9-11-7-5-6-8-12(11)21-3/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)(H3,16,18,20)/t10-,13-/m1/s1
InChIKeyHXTKJHQXRPISCR-ZWNOBZJWSA-N
MW293.37 g/mol
LogP1.39
Rot. Bonds7

About (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide

(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide (PubChem CID 2713290) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
PubChem CID2713290
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC
InChIInChI=1S/C15H23N3O3/c1-4-10(2)13(18-15(16)20)14(19)17-9-11-7-5-6-8-12(11)21-3/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)(H3,16,18,20)/t10-,13-/m1/s1
InChIKeyHXTKJHQXRPISCR-ZWNOBZJWSA-N
XLogP1.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 18159420
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
(3S)-N-[(2S,3S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40742954
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801412
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide?
The IUPAC name of (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide (CID 2713290) is (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide?
The canonical SMILES for (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide is CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC.
What is the InChIKey of (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide?
The InChIKey is HXTKJHQXRPISCR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-10(2)13(18-15(16)20)14(19)17-9-11-7-5-6-8-12(11)21-3/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)(H3,16,18,20)/t10-,13-/m1/s1.
What are the key properties of (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide?
(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide has a molecular weight of 293.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 2713290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).