N-cyclododecyl-N'-(1-phenylethyl)butanediamide

C24H38N2O2 — CID 4025526

IUPACN-cyclododecyl-N'-(1-phenylethyl)butanediamide
SMILESCC(NC(=O)CCC(=O)NC1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C24H38N2O2/c1-20(21-14-10-9-11-15-21)25-23(27)18-19-24(28)26-22-16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,20,22H,2-8,12-13,16-19H2,1H3,(H,25,27)(H,26,28)
InChIKeyJWIWXHRTCYBYIS-UHFFFAOYSA-N
MW386.58 g/mol
LogP5.43
Rot. Bonds6

About N-cyclododecyl-N'-(1-phenylethyl)butanediamide

N-cyclododecyl-N'-(1-phenylethyl)butanediamide (PubChem CID 4025526) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N-cyclododecyl-N'-(1-phenylethyl)butanediamide.

Molecular Properties

Compound NameN-cyclododecyl-N'-(1-phenylethyl)butanediamide
PubChem CID4025526
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC NameN-cyclododecyl-N'-(1-phenylethyl)butanediamide
SMILESCC(NC(=O)CCC(=O)NC1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C24H38N2O2/c1-20(21-14-10-9-11-15-21)25-23(27)18-19-24(28)26-22-16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,20,22H,2-8,12-13,16-19H2,1H3,(H,25,27)(H,26,28)
InChIKeyJWIWXHRTCYBYIS-UHFFFAOYSA-N
XLogP5.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-N'-(1-phenylethyl)butanediamide?
The IUPAC name of N-cyclododecyl-N'-(1-phenylethyl)butanediamide (CID 4025526) is N-cyclododecyl-N'-(1-phenylethyl)butanediamide.
What is the SMILES notation for N-cyclododecyl-N'-(1-phenylethyl)butanediamide?
The canonical SMILES for N-cyclododecyl-N'-(1-phenylethyl)butanediamide is CC(NC(=O)CCC(=O)NC1CCCCCCCCCCC1)c1ccccc1.
What is the InChIKey of N-cyclododecyl-N'-(1-phenylethyl)butanediamide?
The InChIKey is JWIWXHRTCYBYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-20(21-14-10-9-11-15-21)25-23(27)18-19-24(28)26-22-16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,20,22H,2-8,12-13,16-19H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclododecyl-N'-(1-phenylethyl)butanediamide?
N-cyclododecyl-N'-(1-phenylethyl)butanediamide has a molecular weight of 386.58 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-N'-(1-phenylethyl)butanediamide is sourced from PubChem (CID 4025526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).