N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide

C21H24N4O5 — CID 18151120

IUPACN-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)CCNC(=O)c2ccco2)c2nccn2C)c1
InChIInChI=1S/C21H24N4O5/c1-25-9-8-22-20(25)19(14-11-15(28-2)13-16(12-14)29-3)24-18(26)6-7-23-21(27)17-5-4-10-30-17/h4-5,8-13,19H,6-7H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyHFLPIRNUPSFANR-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.06
Rot. Bonds9

About N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 18151120) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID18151120
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)CCNC(=O)c2ccco2)c2nccn2C)c1
InChIInChI=1S/C21H24N4O5/c1-25-9-8-22-20(25)19(14-11-15(28-2)13-16(12-14)29-3)24-18(26)6-7-23-21(27)17-5-4-10-30-17/h4-5,8-13,19H,6-7H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyHFLPIRNUPSFANR-UHFFFAOYSA-N
XLogP2.06
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55533026
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55457251
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-yloxypropanamide
CID 42951989
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 18151120) is N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide is COc1cc(OC)cc(C(NC(=O)CCNC(=O)c2ccco2)c2nccn2C)c1.
What is the InChIKey of N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is HFLPIRNUPSFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-25-9-8-22-20(25)19(14-11-15(28-2)13-16(12-14)29-3)24-18(26)6-7-23-21(27)17-5-4-10-30-17/h4-5,8-13,19H,6-7H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 18151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).