(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide

C14H21N3O3 — CID 51985199

IUPAC(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
SMILESCC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H21N3O3/c1-9(2)12(17-14(15)20)13(19)16-11-5-3-10(4-6-11)7-8-18/h3-6,9,12,18H,7-8H2,1-2H3,(H,16,19)(H3,15,17,20)/t12-/m0/s1
InChIKeyOTEPPPKABPPQIK-LBPRGKRZSA-N
MW279.34 g/mol
LogP0.85
Rot. Bonds6

About (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide

(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide (PubChem CID 51985199) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
PubChem CID51985199
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
SMILESCC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H21N3O3/c1-9(2)12(17-14(15)20)13(19)16-11-5-3-10(4-6-11)7-8-18/h3-6,9,12,18H,7-8H2,1-2H3,(H,16,19)(H3,15,17,20)/t12-/m0/s1
InChIKeyOTEPPPKABPPQIK-LBPRGKRZSA-N
XLogP0.85
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 42927190
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 75381692
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide (CID 51985199) is (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide is CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
The InChIKey is OTEPPPKABPPQIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)12(17-14(15)20)13(19)16-11-5-3-10(4-6-11)7-8-18/h3-6,9,12,18H,7-8H2,1-2H3,(H,16,19)(H3,15,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 51985199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).