4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide

C22H27NO4 — CID 1377997

IUPAC4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H27NO4/c1-5-13-23(14-6-2)22(25)17-9-7-16(8-10-17)21(24)19-15-18(26-3)11-12-20(19)27-4/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyBRBXONDRJBRAAD-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.20
Rot. Bonds9

About 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide

4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide (PubChem CID 1377997) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
PubChem CID1377997
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H27NO4/c1-5-13-23(14-6-2)22(25)17-9-7-16(8-10-17)21(24)19-15-18(26-3)11-12-20(19)27-4/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyBRBXONDRJBRAAD-UHFFFAOYSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dipropylcarbamoyl)-4-methoxybenzoic acid
CID 129054402
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-methoxy-N,N-dipropylbenzamide
CID 669439
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide?
The IUPAC name of 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide (CID 1377997) is 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide.
What is the SMILES notation for 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide?
The canonical SMILES for 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide?
The InChIKey is BRBXONDRJBRAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-13-23(14-6-2)22(25)17-9-7-16(8-10-17)21(24)19-15-18(26-3)11-12-20(19)27-4/h7-12,15H,5-6,13-14H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide?
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide has a molecular weight of 369.46 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide is sourced from PubChem (CID 1377997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).