(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide

C18H28N2O2 — CID 124741664

IUPAC(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
SMILESCOC1CCC(N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-13(17(19)14-7-5-4-6-8-14)18(21)20(2)15-9-11-16(22-3)12-10-15/h4-8,13,15-17H,9-12,19H2,1-3H3/t13-,15?,16?,17+/m1/s1
InChIKeyWUJOBCSKGVTDEQ-MFNRNEDNSA-N
MW304.43 g/mol
LogP2.74
Rot. Bonds5

About (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide

(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide (PubChem CID 124741664) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
PubChem CID124741664
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
SMILESCOC1CCC(N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-13(17(19)14-7-5-4-6-8-14)18(21)20(2)15-9-11-16(22-3)12-10-15/h4-8,13,15-17H,9-12,19H2,1-3H3/t13-,15?,16?,17+/m1/s1
InChIKeyWUJOBCSKGVTDEQ-MFNRNEDNSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 119787279
3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
CID 119893685
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide
CID 71994688
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
2-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54872258

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide (CID 124741664) is (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide is COC1CCC(N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1.
What is the InChIKey of (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is WUJOBCSKGVTDEQ-MFNRNEDNSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(17(19)14-7-5-4-6-8-14)18(21)20(2)15-9-11-16(22-3)12-10-15/h4-8,13,15-17H,9-12,19H2,1-3H3/t13-,15?,16?,17+/m1/s1.
What are the key properties of (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide?
(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 124741664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).