cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide

C18H26N2O2 — CID 166354928

IUPACcis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide
SMILESCC1(C)[C@@H](O)C[C@]1(N)C(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-17(2)15(21)10-18(17,19)16(22)20-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,13,15,21H,5,7-8,10-11,19H2,1-2H3,(H,20,22)/t13?,15-,18-/m0/s1
InChIKeyICGVMRVYWDESRD-ARJFZQPCSA-N
MW302.42 g/mol
LogP1.71
Rot. Bonds3

About cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide

cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 166354928) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide
PubChem CID166354928
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide
SMILESCC1(C)[C@@H](O)C[C@]1(N)C(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-17(2)15(21)10-18(17,19)16(22)20-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,13,15,21H,5,7-8,10-11,19H2,1-2H3,(H,20,22)/t13?,15-,18-/m0/s1
InChIKeyICGVMRVYWDESRD-ARJFZQPCSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide
CID 166355069
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
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119956625
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide (CID 166354928) is cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide is CC1(C)[C@@H](O)C[C@]1(N)C(=O)NCC1CCCc2ccccc21.
What is the InChIKey of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is ICGVMRVYWDESRD-ARJFZQPCSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2)15(21)10-18(17,19)16(22)20-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,13,15,21H,5,7-8,10-11,19H2,1-2H3,(H,20,22)/t13?,15-,18-/m0/s1.
What are the key properties of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide?
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.71, 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-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166354928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).