3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide

C23H27N5O3 — CID 56540324

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C23H27N5O3/c1-27(17-19-7-3-2-4-8-19)23(30)25-12-11-22(29)26-20-9-5-6-10-21(20)31-16-15-28-14-13-24-18-28/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,25,30)(H,26,29)
InChIKeySFHWHKUDVXKILN-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.13
Rot. Bonds10

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide (PubChem CID 56540324) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
PubChem CID56540324
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C23H27N5O3/c1-27(17-19-7-3-2-4-8-19)23(30)25-12-11-22(29)26-20-9-5-6-10-21(20)31-16-15-28-14-13-24-18-28/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,25,30)(H,26,29)
InChIKeySFHWHKUDVXKILN-UHFFFAOYSA-N
XLogP3.13
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
CID 56514095
(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide
CID 124721834
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
CID 56513837
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide (CID 56540324) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccccc1OCCn1ccnc1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
The InChIKey is SFHWHKUDVXKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27(17-19-7-3-2-4-8-19)23(30)25-12-11-22(29)26-20-9-5-6-10-21(20)31-16-15-28-14-13-24-18-28/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 56540324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).