N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C20H28N4O3 — CID 55533026

IUPACN-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(C(NC(=O)CCNC(=O)C(C)(C)C)c2nccn2C)c1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)19(26)22-10-9-16(25)23-17(18-21-11-12-24(18)4)14-7-6-8-15(13-14)27-5/h6-8,11-13,17H,9-10H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyZFKSOFGGEGEBFD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.19
Rot. Bonds7

About N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 55533026) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID55533026
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(C(NC(=O)CCNC(=O)C(C)(C)C)c2nccn2C)c1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)19(26)22-10-9-16(25)23-17(18-21-11-12-24(18)4)14-7-6-8-15(13-14)27-5/h6-8,11-13,17H,9-10H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyZFKSOFGGEGEBFD-UHFFFAOYSA-N
XLogP2.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
3-indol-1-yl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51334347
4-(4-bromophenyl)-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 31505126
1-[2-(3-chlorophenyl)ethyl]-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36524692
3-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269278
1-[2-(4-chlorophenoxy)ethyl]-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36506060
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
2-(4-cyanoanilino)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47079560
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 55533026) is N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is COc1cccc(C(NC(=O)CCNC(=O)C(C)(C)C)c2nccn2C)c1.
What is the InChIKey of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is ZFKSOFGGEGEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)19(26)22-10-9-16(25)23-17(18-21-11-12-24(18)4)14-7-6-8-15(13-14)27-5/h6-8,11-13,17H,9-10H2,1-5H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55533026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).