cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide

C18H28N2O2 — CID 133109702

IUPACcis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCCc1ccc(CN(CCOC)C(=O)[C@@H]2CC[C@H](N)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-14-4-6-15(7-5-14)13-20(10-11-22-2)18(21)16-8-9-17(19)12-16/h4-7,16-17H,3,8-13,19H2,1-2H3/t16-,17+/m1/s1
InChIKeyPPLRLRCJNXUUNE-SJORKVTESA-N
MW304.43 g/mol
LogP2.35
Rot. Bonds7

About cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide (PubChem CID 133109702) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
PubChem CID133109702
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namecis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCCc1ccc(CN(CCOC)C(=O)[C@@H]2CC[C@H](N)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-14-4-6-15(7-5-14)13-20(10-11-22-2)18(21)16-8-9-17(19)12-16/h4-7,16-17H,3,8-13,19H2,1-2H3/t16-,17+/m1/s1
InChIKeyPPLRLRCJNXUUNE-SJORKVTESA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 6467211
3-[1-(biphenyl-4-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 23724040
N-[1-(4-ethylphenyl)ethyl]cyclopentanecarboxamide
CID 6468372
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46942467
N-(2-methoxyethyl)-1-[(4-propan-2-ylphenyl)methyl]azepane-4-carboxamide
CID 49786587
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(oxetan-3-ylamino)cyclopentanecarboxamide trifluoroacetate
CID 44593561
(2R)-N-[(2R)-1-methoxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11254428
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11300383
1-benzyl-N-(2-methoxyethyl)azepane-4-carboxamide
CID 46942391
N-(2-methoxyethyl)-1-[(4-phenylphenyl)methyl]azepane-4-carboxamide
CID 46943870
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-[[4-(trifluoromethyl)phenyl]methylamino]azonane-4-carboxamide
CID 75411827

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide (CID 133109702) is cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide is CCc1ccc(CN(CCOC)C(=O)[C@@H]2CC[C@H](N)C2)cc1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is PPLRLRCJNXUUNE-SJORKVTESA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-14-4-6-15(7-5-14)13-20(10-11-22-2)18(21)16-8-9-17(19)12-16/h4-7,16-17H,3,8-13,19H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 133109702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).