cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide

C19H28N2O2 — CID 166355058

IUPACcis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1(CNC(=O)[C@@]2(N)C[C@H](O)C2(C)C)CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-17(2)15(22)11-19(17,20)16(23)21-12-18(3)10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9,15,22H,6,8,10-12,20H2,1-3H3,(H,21,23)/t15-,18?,19-/m0/s1
InChIKeyQITVJKNALWUBCG-GZMMRYBBSA-N
MW316.44 g/mol
LogP1.89
Rot. Bonds3

About cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide

cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 166355058) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide
PubChem CID166355058
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namecis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1(CNC(=O)[C@@]2(N)C[C@H](O)C2(C)C)CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-17(2)15(22)11-19(17,20)16(23)21-12-18(3)10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9,15,22H,6,8,10-12,20H2,1-3H3,(H,21,23)/t15-,18?,19-/m0/s1
InChIKeyQITVJKNALWUBCG-GZMMRYBBSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide 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

cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 166354928
2-methyl-3-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-oxopropanoic acid
CID 122066718
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide
CID 97334309
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97333247
N-[3-[[(2-chloroacetyl)amino]methyl]-3-phenylcyclobutyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 154875797
2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate
CID 146167069
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 52525290

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide (CID 166355058) is cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide is CC1(CNC(=O)[C@@]2(N)C[C@H](O)C2(C)C)CCCc2ccccc21.
What is the InChIKey of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QITVJKNALWUBCG-GZMMRYBBSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-17(2)15(22)11-19(17,20)16(23)21-12-18(3)10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9,15,22H,6,8,10-12,20H2,1-3H3,(H,21,23)/t15-,18?,19-/m0/s1.
What are the key properties of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide?
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166355058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).