(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide

C18H26N2O3 — CID 155491744

IUPAC(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NC2CC(OCc3ccccc3)C2)C[C@H]1O
InChIInChI=1S/C18H26N2O3/c19-16-7-6-13(8-17(16)21)18(22)20-14-9-15(10-14)23-11-12-4-2-1-3-5-12/h1-5,13-17,21H,6-11,19H2,(H,20,22)/t13-,14?,15?,16+,17+/m0/s1
InChIKeySMGQDEPTSSHGRW-LMCYLSQRSA-N
MW318.42 g/mol
LogP1.34
Rot. Bonds5

About (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide (PubChem CID 155491744) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide
PubChem CID155491744
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NC2CC(OCc3ccccc3)C2)C[C@H]1O
InChIInChI=1S/C18H26N2O3/c19-16-7-6-13(8-17(16)21)18(22)20-14-9-15(10-14)23-11-12-4-2-1-3-5-12/h1-5,13-17,21H,6-11,19H2,(H,20,22)/t13-,14?,15?,16+,17+/m0/s1
InChIKeySMGQDEPTSSHGRW-LMCYLSQRSA-N
XLogP1.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
CID 164920377
2,2,2-trichloroethyl N-(3-phenylmethoxycyclobutyl)carbamate
CID 168926737
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
CID 91545004
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
CID 118524795
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119885996
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide (CID 155491744) is (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide is N[C@@H]1CC[C@H](C(=O)NC2CC(OCc3ccccc3)C2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide?
The InChIKey is SMGQDEPTSSHGRW-LMCYLSQRSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-16-7-6-13(8-17(16)21)18(22)20-14-9-15(10-14)23-11-12-4-2-1-3-5-12/h1-5,13-17,21H,6-11,19H2,(H,20,22)/t13-,14?,15?,16+,17+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 155491744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).