N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide

C14H28N2O — CID 112688523

IUPACN-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide
SMILESCC1CCCCC1NCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11-7-5-6-8-12(11)15-10-9-13(17)16-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyFRTQEDZDDWGKJE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds4

About N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide

N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide (PubChem CID 112688523) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide
PubChem CID112688523
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide
SMILESCC1CCCCC1NCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11-7-5-6-8-12(11)15-10-9-13(17)16-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyFRTQEDZDDWGKJE-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide 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-tert-butyl-2-[(2-methylcyclohexyl)amino]acetamide
CID 43179946
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
CID 107907876
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
N-[2-[(2-methylcyclopentyl)amino]ethyl]acetamide
CID 65046344
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 112688507
N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
CID 112688557

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide (CID 112688523) is N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide is CC1CCCCC1NCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide?
The InChIKey is FRTQEDZDDWGKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-7-5-6-8-12(11)15-10-9-13(17)16-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide?
N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide is sourced from PubChem (CID 112688523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).