(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

C14H21N3O2 — CID 9024362

IUPAC(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21N3O2/c1-10-5-7-12(8-6-10)9-17(4)11(2)13(18)16-14(19)15-3/h5-8,11H,9H2,1-4H3,(H2,15,16,18,19)/t11-/m1/s1
InChIKeyZQKMHZZNEMOIKL-LLVKDONJSA-N
MW263.34 g/mol
LogP1.27
Rot. Bonds4

About (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 9024362) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID9024362
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21N3O2/c1-10-5-7-12(8-6-10)9-17(4)11(2)13(18)16-14(19)15-3/h5-8,11H,9H2,1-4H3,(H2,15,16,18,19)/t11-/m1/s1
InChIKeyZQKMHZZNEMOIKL-LLVKDONJSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 94817203
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42957830
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
CID 64866924
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483
2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 50960177
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 18142135

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (CID 9024362) is (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is ZQKMHZZNEMOIKL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-7-12(8-6-10)9-17(4)11(2)13(18)16-14(19)15-3/h5-8,11H,9H2,1-4H3,(H2,15,16,18,19)/t11-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 9024362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).