N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide

C19H23N3O — CID 172895010

IUPACN-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](N)c1ccc(-c2ccc(NC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-14(20)15-4-6-16(7-5-15)17-8-10-18(11-9-17)21-19(23)22-12-2-3-13-22/h4-11,14H,2-3,12-13,20H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyWTIZSGARSUUXIB-CQSZACIVSA-N
MW309.41 g/mol
LogP4.00
Rot. Bonds3

About N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide

N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 172895010) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID172895010
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](N)c1ccc(-c2ccc(NC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-14(20)15-4-6-16(7-5-15)17-8-10-18(11-9-17)21-19(23)22-12-2-3-13-22/h4-11,14H,2-3,12-13,20H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyWTIZSGARSUUXIB-CQSZACIVSA-N
XLogP4.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61339985
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114681075
N-[4-(but-2-ynoylamino)phenyl]azepane-1-carboxamide
CID 166405399
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
CID 110178664
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-[4-[(2-methylsulfanylacetyl)amino]phenyl]azepane-1-carboxamide
CID 60608362

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide (CID 172895010) is N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide is C[C@@H](N)c1ccc(-c2ccc(NC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is WTIZSGARSUUXIB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(20)15-4-6-16(7-5-15)17-8-10-18(11-9-17)21-19(23)22-12-2-3-13-22/h4-11,14H,2-3,12-13,20H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide?
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 172895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).