tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate

C17H25NO3 — CID 15864552

IUPACtert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,3)14(19)13(12-10-8-7-9-11-12)18-15(20)21-17(4,5)6/h7-11,13H,1-6H3,(H,18,20)
InChIKeyPEIWBLQEIGRYHA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.87
Rot. Bonds3

About tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate

tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate (PubChem CID 15864552) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
PubChem CID15864552
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,3)14(19)13(12-10-8-7-9-11-12)18-15(20)21-17(4,5)6/h7-11,13H,1-6H3,(H,18,20)
InChIKeyPEIWBLQEIGRYHA-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 67042611
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
CID 110406811
methyl (Z,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-5-phenylpent-2-enoate
CID 134832978
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate?
The IUPAC name of tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate (CID 15864552) is tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate is CC(C)(C)OC(=O)NC(C(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate?
The InChIKey is PEIWBLQEIGRYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)14(19)13(12-10-8-7-9-11-12)18-15(20)21-17(4,5)6/h7-11,13H,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate?
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate is sourced from PubChem (CID 15864552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).