N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide

C21H24N2O4 — CID 55461380

IUPACN-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(c2ccc(OC)cc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-17-9-5-15(6-10-17)20(14-3-4-14)23-19(24)13-22-21(25)16-7-11-18(27-2)12-8-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyULKVTUOUPSGMSX-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide

N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 55461380) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
PubChem CID55461380
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(c2ccc(OC)cc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-17-9-5-15(6-10-17)20(14-3-4-14)23-19(24)13-22-21(25)16-7-11-18(27-2)12-8-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyULKVTUOUPSGMSX-UHFFFAOYSA-N
XLogP2.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 78829079
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide (CID 55461380) is N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)NC(c2ccc(OC)cc2)C2CC2)cc1.
What is the InChIKey of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is ULKVTUOUPSGMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-17-9-5-15(6-10-17)20(14-3-4-14)23-19(24)13-22-21(25)16-7-11-18(27-2)12-8-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 55461380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).