(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide

C16H25N3O3 — CID 94178980

IUPAC(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1OC
InChIInChI=1S/C16H25N3O3/c1-11(2)9-13(15(20)17-3)19-16(21)18-10-12-7-5-6-8-14(12)22-4/h5-8,11,13H,9-10H2,1-4H3,(H,17,20)(H2,18,19,21)/t13-/m0/s1
InChIKeyVFNAGFHZERPGDG-ZDUSSCGKSA-N
MW307.39 g/mol
LogP1.66
Rot. Bonds7

About (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide

(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide (PubChem CID 94178980) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
PubChem CID94178980
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1OC
InChIInChI=1S/C16H25N3O3/c1-11(2)9-13(15(20)17-3)19-16(21)18-10-12-7-5-6-8-14(12)22-4/h5-8,11,13H,9-10H2,1-4H3,(H,17,20)(H2,18,19,21)/t13-/m0/s1
InChIKeyVFNAGFHZERPGDG-ZDUSSCGKSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344
4-amino-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61181353
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 6956485
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide (CID 94178980) is (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide is CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1OC.
What is the InChIKey of (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide?
The InChIKey is VFNAGFHZERPGDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)9-13(15(20)17-3)19-16(21)18-10-12-7-5-6-8-14(12)22-4/h5-8,11,13H,9-10H2,1-4H3,(H,17,20)(H2,18,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide?
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide has a molecular weight of 307.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 94178980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).