trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide

C18H26N2O2 — CID 124777561

IUPACtrans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(N(C(=O)[C@@H]2CC[C@@H](N)C2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-12(13-3-4-13)20(16-7-9-17(22-2)10-8-16)18(21)14-5-6-15(19)11-14/h7-10,12-15H,3-6,11,19H2,1-2H3/t12-,14-,15-/m1/s1
InChIKeyGGBXMGNXLMWFEK-BPLDGKMQSA-N
MW302.42 g/mol
LogP2.95
Rot. Bonds5

About trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide

trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 124777561) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID124777561
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametrans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(N(C(=O)[C@@H]2CC[C@@H](N)C2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-12(13-3-4-13)20(16-7-9-17(22-2)10-8-16)18(21)14-5-6-15(19)11-14/h7-10,12-15H,3-6,11,19H2,1-2H3/t12-,14-,15-/m1/s1
InChIKeyGGBXMGNXLMWFEK-BPLDGKMQSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 124777561) is trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(N(C(=O)[C@@H]2CC[C@@H](N)C2)[C@H](C)C2CC2)cc1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is GGBXMGNXLMWFEK-BPLDGKMQSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(13-3-4-13)20(16-7-9-17(22-2)10-8-16)18(21)14-5-6-15(19)11-14/h7-10,12-15H,3-6,11,19H2,1-2H3/t12-,14-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide?
trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 124777561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).