N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide

C23H28N2O4 — CID 34282702

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1OCCC
InChIInChI=1S/C23H28N2O4/c1-3-13-28-20-12-9-16(15-21(20)29-14-4-2)22(26)25-19-8-6-5-7-18(19)23(27)24-17-10-11-17/h5-9,12,15,17H,3-4,10-11,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBCDCGQJDQMBRGX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.41
Rot. Bonds10

About N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide

N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide (PubChem CID 34282702) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
PubChem CID34282702
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1OCCC
InChIInChI=1S/C23H28N2O4/c1-3-13-28-20-12-9-16(15-21(20)29-14-4-2)22(26)25-19-8-6-5-7-18(19)23(27)24-17-10-11-17/h5-9,12,15,17H,3-4,10-11,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBCDCGQJDQMBRGX-UHFFFAOYSA-N
XLogP4.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide (CID 34282702) is N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1OCCC.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide?
The InChIKey is BCDCGQJDQMBRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-13-28-20-12-9-16(15-21(20)29-14-4-2)22(26)25-19-8-6-5-7-18(19)23(27)24-17-10-11-17/h5-9,12,15,17H,3-4,10-11,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide has a molecular weight of 396.49 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide is sourced from PubChem (CID 34282702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).