N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide

C19H30N2O3 — CID 110025985

IUPACN-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
SMILESCCC(CO)NC(=O)Cc1ccc(NC(=O)C(C)C(C)CC)cc1
InChIInChI=1S/C19H30N2O3/c1-5-13(3)14(4)19(24)21-17-9-7-15(8-10-17)11-18(23)20-16(6-2)12-22/h7-10,13-14,16,22H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKLCZEGNTQOEKGP-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.74
Rot. Bonds9

About N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide

N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide (PubChem CID 110025985) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide.

Molecular Properties

Compound NameN-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
PubChem CID110025985
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
SMILESCCC(CO)NC(=O)Cc1ccc(NC(=O)C(C)C(C)CC)cc1
InChIInChI=1S/C19H30N2O3/c1-5-13(3)14(4)19(24)21-17-9-7-15(8-10-17)11-18(23)20-16(6-2)12-22/h7-10,13-14,16,22H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKLCZEGNTQOEKGP-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide
CID 110026465
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-5-methylthiophene-2-carboxamide
CID 111432977
3-[4-(2,3-dimethylpentanoylamino)phenyl]-2-methylpropanoic acid
CID 120541285
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide
CID 111432990
2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
CID 111778068
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
CID 110025972
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide?
The IUPAC name of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide (CID 110025985) is N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide.
What is the SMILES notation for N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide?
The canonical SMILES for N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide is CCC(CO)NC(=O)Cc1ccc(NC(=O)C(C)C(C)CC)cc1.
What is the InChIKey of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide?
The InChIKey is KLCZEGNTQOEKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-13(3)14(4)19(24)21-17-9-7-15(8-10-17)11-18(23)20-16(6-2)12-22/h7-10,13-14,16,22H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide?
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide has a molecular weight of 334.46 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide is sourced from PubChem (CID 110025985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).