N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide

C16H25NO2 — CID 54917384

IUPACN-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
SMILESCCC(C(=O)N(CCCO)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-15(14-9-6-5-7-10-14)16(19)17(13(2)3)11-8-12-18/h5-7,9-10,13,15,18H,4,8,11-12H2,1-3H3
InChIKeyOTSHGAMHDQCJBU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds7

About N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide

N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide (PubChem CID 54917384) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
PubChem CID54917384
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
SMILESCCC(C(=O)N(CCCO)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-15(14-9-6-5-7-10-14)16(19)17(13(2)3)11-8-12-18/h5-7,9-10,13,15,18H,4,8,11-12H2,1-3H3
InChIKeyOTSHGAMHDQCJBU-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496
N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide
CID 61039574
4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
CID 63324041
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
CID 61040005
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 64567111
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide (CID 54917384) is N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide is CCC(C(=O)N(CCCO)C(C)C)c1ccccc1.
What is the InChIKey of N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide?
The InChIKey is OTSHGAMHDQCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-15(14-9-6-5-7-10-14)16(19)17(13(2)3)11-8-12-18/h5-7,9-10,13,15,18H,4,8,11-12H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide?
N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 54917384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).