7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide

C19H31N3O — CID 119862086

IUPAC7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C19H31N3O/c20-13-4-2-1-3-7-19(23)21-18-10-8-17(9-11-18)12-16-22-14-5-6-15-22/h8-11H,1-7,12-16,20H2,(H,21,23)
InChIKeyPRSOOLFZQMEPEN-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.17
Rot. Bonds10

About 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide

7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide (PubChem CID 119862086) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
PubChem CID119862086
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C19H31N3O/c20-13-4-2-1-3-7-19(23)21-18-10-8-17(9-11-18)12-16-22-14-5-6-15-22/h8-11H,1-7,12-16,20H2,(H,21,23)
InChIKeyPRSOOLFZQMEPEN-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
12-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]dodecanamide
CID 71562300
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide
CID 120939966
7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide
CID 119883320
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide (CID 119862086) is 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(CCN2CCCC2)cc1.
What is the InChIKey of 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide?
The InChIKey is PRSOOLFZQMEPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c20-13-4-2-1-3-7-19(23)21-18-10-8-17(9-11-18)12-16-22-14-5-6-15-22/h8-11H,1-7,12-16,20H2,(H,21,23).
What are the key properties of 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide?
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide has a molecular weight of 317.48 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide is sourced from PubChem (CID 119862086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).