(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide

C17H27N3O2 — CID 99829021

IUPAC(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C17H27N3O2/c1-12(15(21)20(5)6)19-16(22)18-11-13-7-9-14(10-8-13)17(2,3)4/h7-10,12H,11H2,1-6H3,(H2,18,19,22)/t12-/m0/s1
InChIKeyLZFFHOFJLWGWOY-LBPRGKRZSA-N
MW305.42 g/mol
LogP2.26
Rot. Bonds4

About (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide (PubChem CID 99829021) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
PubChem CID99829021
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C17H27N3O2/c1-12(15(21)20(5)6)19-16(22)18-11-13-7-9-14(10-8-13)17(2,3)4/h7-10,12H,11H2,1-6H3,(H2,18,19,22)/t12-/m0/s1
InChIKeyLZFFHOFJLWGWOY-LBPRGKRZSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide 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-bromophenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819558
N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
CID 155669977
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 94806328
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]ethyl]-4-fluorobenzamide
CID 94657166
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
4-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]benzoic acid
CID 82938801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide (CID 99829021) is (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide is C[C@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is LZFFHOFJLWGWOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(15(21)20(5)6)19-16(22)18-11-13-7-9-14(10-8-13)17(2,3)4/h7-10,12H,11H2,1-6H3,(H2,18,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 99829021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).