N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide

C17H27N3O2 — CID 51243139

IUPACN-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C)C(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-12-9-7-8-10-14(12)11-20(6)13(2)15(21)18-16(22)19-17(3,4)5/h7-10,13H,11H2,1-6H3,(H2,18,19,21,22)
InChIKeyXAWZRKUVAPAATK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.44
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide

N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 51243139) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID51243139
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C)C(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-12-9-7-8-10-14(12)11-20(6)13(2)15(21)18-16(22)19-17(3,4)5/h7-10,13H,11H2,1-6H3,(H2,18,19,21,22)
InChIKeyXAWZRKUVAPAATK-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 40761168
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
CID 9453506
N-(methylcarbamoyl)-2-[methyl-[(2-nitrophenyl)methyl]amino]propanamide
CID 42957856
N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132703419
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516700

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide (CID 51243139) is N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide is Cc1ccccc1CN(C)C(C)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is XAWZRKUVAPAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-9-7-8-10-14(12)11-20(6)13(2)15(21)18-16(22)19-17(3,4)5/h7-10,13H,11H2,1-6H3,(H2,18,19,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide?
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 51243139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).