butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate

C15H23NO2 — CID 20658639

IUPACbutan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
SMILESCCC(C)OC(=O)NC(C)(C)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-6-12(3)18-14(17)16-15(4,5)13-9-7-8-11(2)10-13/h7-10,12H,6H2,1-5H3,(H,16,17)
InChIKeyOAFNYSCPCRMWKM-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.75
Rot. Bonds4

About butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate

butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate (PubChem CID 20658639) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
PubChem CID20658639
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebutan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
SMILESCCC(C)OC(=O)NC(C)(C)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-6-12(3)18-14(17)16-15(4,5)13-9-7-8-11(2)10-13/h7-10,12H,6H2,1-5H3,(H,16,17)
InChIKeyOAFNYSCPCRMWKM-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
2-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917557
2-[2-[3-[2-(1-prop-2-enoyloxybutan-2-yloxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597571
2-[2-[3-[2-[1-(2-methylprop-2-enoyloxy)butan-2-yloxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl 2-methylprop-2-enoate
CID 122597647
propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate
CID 141340360
4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
CID 119795625
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate
CID 59102822
1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
CID 129101422

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate?
The IUPAC name of butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate (CID 20658639) is butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate?
The canonical SMILES for butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate is CCC(C)OC(=O)NC(C)(C)c1cccc(C)c1.
What is the InChIKey of butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate?
The InChIKey is OAFNYSCPCRMWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-12(3)18-14(17)16-15(4,5)13-9-7-8-11(2)10-13/h7-10,12H,6H2,1-5H3,(H,16,17).
What are the key properties of butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate?
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 20658639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).