N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide

C27H32N4O5 — CID 42830543

IUPACN-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1
InChIInChI=1S/C27H32N4O5/c1-5-26(33)30(15-18-6-7-18)17-25(32)29-27-28-22(19-8-11-21(34-2)12-9-19)16-31(27)20-10-13-23(35-3)24(14-20)36-4/h8-14,16,18H,5-7,15,17H2,1-4H3,(H,28,29,32)
InChIKeySSCIYMXTPFCGSN-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.15
Rot. Bonds11

About N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide

N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide (PubChem CID 42830543) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
PubChem CID42830543
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1
InChIInChI=1S/C27H32N4O5/c1-5-26(33)30(15-18-6-7-18)17-25(32)29-27-28-22(19-8-11-21(34-2)12-9-19)16-31(27)20-10-13-23(35-3)24(14-20)36-4/h8-14,16,18H,5-7,15,17H2,1-4H3,(H,28,29,32)
InChIKeySSCIYMXTPFCGSN-UHFFFAOYSA-N
XLogP4.15
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide
CID 42828513
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98385589
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827233

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide (CID 42830543) is N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide is CCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?
The InChIKey is SSCIYMXTPFCGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-5-26(33)30(15-18-6-7-18)17-25(32)29-27-28-22(19-8-11-21(34-2)12-9-19)16-31(27)20-10-13-23(35-3)24(14-20)36-4/h8-14,16,18H,5-7,15,17H2,1-4H3,(H,28,29,32).
What are the key properties of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 492.58 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 42830543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).