(2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide

C17H25NO3 — CID 157369639

IUPAC(2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide
SMILESCC(C)[C@H](C)C(=O)C[C@@H](C)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)13(4)16(20)9-12(3)17(21)18-15-7-5-14(10-19)6-8-15/h5-8,11-13,19H,9-10H2,1-4H3,(H,18,21)/t12-,13+/m1/s1
InChIKeyZGVSQBQTABBBPL-OLZOCXBDSA-N
MW291.39 g/mol
LogP3.00
Rot. Bonds7

About (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide

(2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide (PubChem CID 157369639) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide.

Molecular Properties

Compound Name(2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide
PubChem CID157369639
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide
SMILESCC(C)[C@H](C)C(=O)C[C@@H](C)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)13(4)16(20)9-12(3)17(21)18-15-7-5-14(10-19)6-8-15/h5-8,11-13,19H,9-10H2,1-4H3,(H,18,21)/t12-,13+/m1/s1
InChIKeyZGVSQBQTABBBPL-OLZOCXBDSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2-[(2-amino-2-oxoethyl)sulfanylmethyl]-N-[4-(hydroxymethyl)phenyl]-5,6-dimethyl-4-oxoheptanamide
CID 160882805
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
CID 142530006
2-[[4-(hydroxymethyl)phenyl]carbamoyl]-3,3-dimethylbutanoic acid
CID 116537436
[4-[[(2S,5S)-2,6-dimethyl-4-oxo-5-(propan-2-ylamino)heptanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 167597377
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
3-[4-(2,4-dimethylpent-4-enoylamino)phenyl]-2-methylpropanoic acid
CID 120690043
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 75381692
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide?
The IUPAC name of (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide (CID 157369639) is (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide.
What is the SMILES notation for (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide?
The canonical SMILES for (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide is CC(C)[C@H](C)C(=O)C[C@@H](C)C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide?
The InChIKey is ZGVSQBQTABBBPL-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)13(4)16(20)9-12(3)17(21)18-15-7-5-14(10-19)6-8-15/h5-8,11-13,19H,9-10H2,1-4H3,(H,18,21)/t12-,13+/m1/s1.
What are the key properties of (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide?
(2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide has a molecular weight of 291.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-[4-(hydroxymethyl)phenyl]-2,5,6-trimethyl-4-oxoheptanamide is sourced from PubChem (CID 157369639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).