N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide

C15H30N2O — CID 63995714

IUPACN-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
SMILESCC1CCC(NC(C)C(=O)NC(C)(C)C)C(C)C1
InChIInChI=1S/C15H30N2O/c1-10-7-8-13(11(2)9-10)16-12(3)14(18)17-15(4,5)6/h10-13,16H,7-9H2,1-6H3,(H,17,18)
InChIKeyMMYMAYNGBLWSCO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.70
Rot. Bonds3

About N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide

N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide (PubChem CID 63995714) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
PubChem CID63995714
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
SMILESCC1CCC(NC(C)C(=O)NC(C)(C)C)C(C)C1
InChIInChI=1S/C15H30N2O/c1-10-7-8-13(11(2)9-10)16-12(3)14(18)17-15(4,5)6/h10-13,16H,7-9H2,1-6H3,(H,17,18)
InChIKeyMMYMAYNGBLWSCO-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 104537061
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
CID 63995484
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63994705
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63994710
N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
CID 112700338
N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102733998
(2R)-N-methyl-2-[(2-methylcyclobutyl)amino]propanamide
CID 131175832
N-tert-butyl-2-[(2-methoxycyclopentyl)amino]propanamide
CID 62086267
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide
CID 112700337
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide (CID 63995714) is N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide is CC1CCC(NC(C)C(=O)NC(C)(C)C)C(C)C1.
What is the InChIKey of N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide?
The InChIKey is MMYMAYNGBLWSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10-7-8-13(11(2)9-10)16-12(3)14(18)17-15(4,5)6/h10-13,16H,7-9H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide?
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 63995714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).