benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide

C21H29NO2 — CID 144812222

IUPACbenzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
SMILESC=O.CCCN(CCC)C(=O)c1ccc(C)cc1.c1ccccc1
InChIInChI=1S/C14H21NO.C6H6.CH2O/c1-4-10-15(11-5-2)14(16)13-8-6-12(3)7-9-13;1-2-4-6-5-3-1;1-2/h6-9H,4-5,10-11H2,1-3H3;1-6H;1H2
InChIKeyYURCGNHXSUXUMB-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.76
Rot. Bonds5

About benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide

benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide (PubChem CID 144812222) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Namebenzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
PubChem CID144812222
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Namebenzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
SMILESC=O.CCCN(CCC)C(=O)c1ccc(C)cc1.c1ccccc1
InChIInChI=1S/C14H21NO.C6H6.CH2O/c1-4-10-15(11-5-2)14(16)13-8-6-12(3)7-9-13;1-2-4-6-5-3-1;1-2/h6-9H,4-5,10-11H2,1-3H3;1-6H;1H2
InChIKeyYURCGNHXSUXUMB-UHFFFAOYSA-N
XLogP4.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 5035260
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
CID 83277422

Frequently Asked Questions

What is the IUPAC name of benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide?
The IUPAC name of benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide (CID 144812222) is benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide.
What is the SMILES notation for benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide?
The canonical SMILES for benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide is C=O.CCCN(CCC)C(=O)c1ccc(C)cc1.c1ccccc1.
What is the InChIKey of benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide?
The InChIKey is YURCGNHXSUXUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C6H6.CH2O/c1-4-10-15(11-5-2)14(16)13-8-6-12(3)7-9-13;1-2-4-6-5-3-1;1-2/h6-9H,4-5,10-11H2,1-3H3;1-6H;1H2.
What are the key properties of benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide?
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide has a molecular weight of 327.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide is sourced from PubChem (CID 144812222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).