2-(3,5-dibutylphenyl)propan-2-yl carbamate

C18H29NO2 — CID 66600004

IUPAC2-(3,5-dibutylphenyl)propan-2-yl carbamate
SMILESCCCCc1cc(CCCC)cc(C(C)(C)OC(N)=O)c1
InChIInChI=1S/C18H29NO2/c1-5-7-9-14-11-15(10-8-6-2)13-16(12-14)18(3,4)21-17(19)20/h11-13H,5-10H2,1-4H3,(H2,19,20)
InChIKeyAPNGJRRMWZTSQH-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.70
Rot. Bonds8

About 2-(3,5-dibutylphenyl)propan-2-yl carbamate

2-(3,5-dibutylphenyl)propan-2-yl carbamate (PubChem CID 66600004) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3,5-dibutylphenyl)propan-2-yl carbamate.

Molecular Properties

Compound Name2-(3,5-dibutylphenyl)propan-2-yl carbamate
PubChem CID66600004
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(3,5-dibutylphenyl)propan-2-yl carbamate
SMILESCCCCc1cc(CCCC)cc(C(C)(C)OC(N)=O)c1
InChIInChI=1S/C18H29NO2/c1-5-7-9-14-11-15(10-8-6-2)13-16(12-14)18(3,4)21-17(19)20/h11-13H,5-10H2,1-4H3,(H2,19,20)
InChIKeyAPNGJRRMWZTSQH-UHFFFAOYSA-N
XLogP4.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate
CID 66715109
1,5-dibutyl-3-tert-butylbenzene
CID 140589363
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
3,5-dibutylphenol
CID 15936149
2-[3-(4-aminobutyl)-5-tert-butylphenyl]ethylurea
CID 70646192
2-(3-butylphenyl)-2,2-diphenylacetamide
CID 143420394
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
2,2-bis(3-tert-butyl-5-tetradecylphenyl)propanoic acid
CID 175007618
3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
CID 21019528
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibutylphenyl)propan-2-yl carbamate?
The IUPAC name of 2-(3,5-dibutylphenyl)propan-2-yl carbamate (CID 66600004) is 2-(3,5-dibutylphenyl)propan-2-yl carbamate.
What is the SMILES notation for 2-(3,5-dibutylphenyl)propan-2-yl carbamate?
The canonical SMILES for 2-(3,5-dibutylphenyl)propan-2-yl carbamate is CCCCc1cc(CCCC)cc(C(C)(C)OC(N)=O)c1.
What is the InChIKey of 2-(3,5-dibutylphenyl)propan-2-yl carbamate?
The InChIKey is APNGJRRMWZTSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-9-14-11-15(10-8-6-2)13-16(12-14)18(3,4)21-17(19)20/h11-13H,5-10H2,1-4H3,(H2,19,20).
What are the key properties of 2-(3,5-dibutylphenyl)propan-2-yl carbamate?
2-(3,5-dibutylphenyl)propan-2-yl carbamate has a molecular weight of 291.44 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibutylphenyl)propan-2-yl carbamate is sourced from PubChem (CID 66600004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).