N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide

C23H29N3O2 — CID 5204789

IUPACN-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-4-19(17-10-6-5-7-11-17)22(27)24-18-12-13-21(25(2)3)20(16-18)23(28)26-14-8-9-15-26/h5-7,10-13,16,19H,4,8-9,14-15H2,1-3H3,(H,24,27)
InChIKeyFTPJJECFLKNRJA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.12
Rot. Bonds6

About N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide

N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide (PubChem CID 5204789) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
PubChem CID5204789
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-4-19(17-10-6-5-7-11-17)22(27)24-18-12-13-21(25(2)3)20(16-18)23(28)26-14-8-9-15-26/h5-7,10-13,16,19H,4,8-9,14-15H2,1-3H3,(H,24,27)
InChIKeyFTPJJECFLKNRJA-UHFFFAOYSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 1066481
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
CID 42747286
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide (CID 5204789) is N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide?
The InChIKey is FTPJJECFLKNRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-19(17-10-6-5-7-11-17)22(27)24-18-12-13-21(25(2)3)20(16-18)23(28)26-14-8-9-15-26/h5-7,10-13,16,19H,4,8-9,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide?
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide has a molecular weight of 379.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 5204789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).