cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide

C18H26N2O2 — CID 133119161

IUPACcis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@@H](C(=O)N(C/C=C/c2ccccc2)CCCO)C1
InChIInChI=1S/C18H26N2O2/c19-17-10-9-16(14-17)18(22)20(12-5-13-21)11-4-8-15-6-2-1-3-7-15/h1-4,6-8,16-17,21H,5,9-14,19H2/b8-4+/t16-,17+/m1/s1
InChIKeyDXFFKFBIGJJPRH-CDFMYIFESA-N
MW302.42 g/mol
LogP2.04
Rot. Bonds7

About cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide (PubChem CID 133119161) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
PubChem CID133119161
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@@H](C(=O)N(C/C=C/c2ccccc2)CCCO)C1
InChIInChI=1S/C18H26N2O2/c19-17-10-9-16(14-17)18(22)20(12-5-13-21)11-4-8-15-6-2-1-3-7-15/h1-4,6-8,16-17,21H,5,9-14,19H2/b8-4+/t16-,17+/m1/s1
InChIKeyDXFFKFBIGJJPRH-CDFMYIFESA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119069267
cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
CID 122566972
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 119033370
cis-(1R,3S)-3-amino-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 133130182
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 134079829
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide (CID 133119161) is cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide is N[C@H]1CC[C@@H](C(=O)N(C/C=C/c2ccccc2)CCCO)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide?
The InChIKey is DXFFKFBIGJJPRH-CDFMYIFESA-N. The full InChI is InChI=1S/C18H26N2O2/c19-17-10-9-16(14-17)18(22)20(12-5-13-21)11-4-8-15-6-2-1-3-7-15/h1-4,6-8,16-17,21H,5,9-14,19H2/b8-4+/t16-,17+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133119161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).