N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide

C16H26N2O — CID 106357055

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-12-6-8-13(9-7-12)15(19)18-14(10-11-17)16(2,3)4/h6-9,14H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyUPEWOTZIQXKFGU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide

N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide (PubChem CID 106357055) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
PubChem CID106357055
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-12-6-8-13(9-7-12)15(19)18-14(10-11-17)16(2,3)4/h6-9,14H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyUPEWOTZIQXKFGU-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide 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

N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
CID 119325324
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
CID 106357063
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
(2S)-2-[[4-(aminomethyl)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 61160949
methyl (2S)-3-amino-2-[(4-ethylbenzoyl)amino]propanoate
CID 10586770
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide (CID 106357055) is N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(CCN)C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
The InChIKey is UPEWOTZIQXKFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12-6-8-13(9-7-12)15(19)18-14(10-11-17)16(2,3)4/h6-9,14H,5,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide is sourced from PubChem (CID 106357055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).