N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide

C15H22N2O3 — CID 111472033

IUPACN-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
SMILESCCNC(=O)CCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-16-14(19)8-9-15(20)17-11-10-13(18)12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3,(H,16,19)(H,17,20)
InChIKeySIYDDNVNGYDNQN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.14
Rot. Bonds8

About N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide

N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide (PubChem CID 111472033) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
PubChem CID111472033
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
SMILESCCNC(=O)CCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-16-14(19)8-9-15(20)17-11-10-13(18)12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3,(H,16,19)(H,17,20)
InChIKeySIYDDNVNGYDNQN-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 111471683
N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
CID 109476501
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide?
The IUPAC name of N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide (CID 111472033) is N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide.
What is the SMILES notation for N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide?
The canonical SMILES for N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide is CCNC(=O)CCC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide?
The InChIKey is SIYDDNVNGYDNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-16-14(19)8-9-15(20)17-11-10-13(18)12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide?
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide has a molecular weight of 278.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide is sourced from PubChem (CID 111472033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).