(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide

C16H32N2O2 — CID 119819509

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
SMILESCCCOC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-5-11-20-16(9-7-6-8-10-16)12-18-14(19)13(17)15(2,3)4/h13H,5-12,17H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyKTVMCCBEQTZJNW-CYBMUJFWSA-N
MW284.44 g/mol
LogP2.61
Rot. Bonds6

About (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide (PubChem CID 119819509) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
PubChem CID119819509
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
SMILESCCCOC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-5-11-20-16(9-7-6-8-10-16)12-18-14(19)13(17)15(2,3)4/h13H,5-12,17H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyKTVMCCBEQTZJNW-CYBMUJFWSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride
CID 120669181
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate
CID 104918410
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide (CID 119819509) is (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide is CCCOC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide?
The InChIKey is KTVMCCBEQTZJNW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-11-20-16(9-7-6-8-10-16)12-18-14(19)13(17)15(2,3)4/h13H,5-12,17H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide has a molecular weight of 284.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide is sourced from PubChem (CID 119819509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).