N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C16H21N3O2 — CID 102891203

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)C2NCC3CCCC32)cc1
InChIInChI=1S/C16H21N3O2/c17-14(20)8-10-4-6-12(7-5-10)19-16(21)15-13-3-1-2-11(13)9-18-15/h4-7,11,13,15,18H,1-3,8-9H2,(H2,17,20)(H,19,21)
InChIKeyMIMGPLSWHYUHRI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.04
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891203) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891203
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)C2NCC3CCCC32)cc1
InChIInChI=1S/C16H21N3O2/c17-14(20)8-10-4-6-12(7-5-10)19-16(21)15-13-3-1-2-11(13)9-18-15/h4-7,11,13,15,18H,1-3,8-9H2,(H2,17,20)(H,19,21)
InChIKeyMIMGPLSWHYUHRI-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890746
N-(4-cyanophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890331
N-(4-carbamoyl-3-chlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891367
N-(2,6-diethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890146
N-(3-fluoro-4-hydroxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893200
N-(3-chloro-4-hydroxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 107680055
N-(3-chloro-4-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890479
N-(3-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890291
N-(1H-indol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892360
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-2-methylbenzoic acid
CID 102893095
N-(4-methoxy-3-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892744
N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893248

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891203) is N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is NC(=O)Cc1ccc(NC(=O)C2NCC3CCCC32)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is MIMGPLSWHYUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-14(20)8-10-4-6-12(7-5-10)19-16(21)15-13-3-1-2-11(13)9-18-15/h4-7,11,13,15,18H,1-3,8-9H2,(H2,17,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).