N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide

C16H26N2O2 — CID 63261276

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(2)17-10-6-9-16(20)18-15(12-19)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,17,19H,6,9-12H2,1-2H3,(H,18,20)
InChIKeyXIEMXHZTMOOPDG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.48
Rot. Bonds9

About N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide

N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 63261276) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide
PubChem CID63261276
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(2)17-10-6-9-16(20)18-15(12-19)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,17,19H,6,9-12H2,1-2H3,(H,18,20)
InChIKeyXIEMXHZTMOOPDG-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
(2R)-3-phenyl-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 104902040
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
2-(butan-2-ylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261541
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide (CID 63261276) is N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is XIEMXHZTMOOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)17-10-6-9-16(20)18-15(12-19)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,17,19H,6,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 278.40 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63261276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).