2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide

C22H29N3O2 — CID 42747373

IUPAC2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)C(CC)c2ccccc2)ccc1N(C)C
InChIInChI=1S/C22H29N3O2/c1-5-14-23-21(26)19-15-17(12-13-20(19)25(3)4)24-22(27)18(6-2)16-10-8-7-9-11-16/h7-13,15,18H,5-6,14H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyRKEOTNKFHKDOQG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.02
Rot. Bonds8

About 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide

2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide (PubChem CID 42747373) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
PubChem CID42747373
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)C(CC)c2ccccc2)ccc1N(C)C
InChIInChI=1S/C22H29N3O2/c1-5-14-23-21(26)19-15-17(12-13-20(19)25(3)4)24-22(27)18(6-2)16-10-8-7-9-11-16/h7-13,15,18H,5-6,14H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyRKEOTNKFHKDOQG-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
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-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 3950818

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide?
The IUPAC name of 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide (CID 42747373) is 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide.
What is the SMILES notation for 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide?
The canonical SMILES for 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)C(CC)c2ccccc2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide?
The InChIKey is RKEOTNKFHKDOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-14-23-21(26)19-15-17(12-13-20(19)25(3)4)24-22(27)18(6-2)16-10-8-7-9-11-16/h7-13,15,18H,5-6,14H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide?
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide is sourced from PubChem (CID 42747373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).