3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide

C21H31N3O3 — CID 74251491

IUPAC3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccccc1NC(=O)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C21H31N3O3/c1-23(2)20(25)12-11-17-6-3-4-8-19(17)22-21(26)24(14-16-9-10-16)15-18-7-5-13-27-18/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3,(H,22,26)
InChIKeyAGVGMZNABTYILD-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.13
Rot. Bonds8

About 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide

3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 74251491) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID74251491
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccccc1NC(=O)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C21H31N3O3/c1-23(2)20(25)12-11-17-6-3-4-8-19(17)22-21(26)24(14-16-9-10-16)15-18-7-5-13-27-18/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3,(H,22,26)
InChIKeyAGVGMZNABTYILD-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 100859036
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 41430702
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
1-(cyclobutylmethyl)-3-(1-methyl-4-phenylpyrazol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97437076
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-[[(1R)-cyclohex-2-en-1-yl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 28815482
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
N-benzyl-2-[(2-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3507681

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide (CID 74251491) is 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccccc1NC(=O)N(CC1CC1)CC1CCCO1.
What is the InChIKey of 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is AGVGMZNABTYILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-23(2)20(25)12-11-17-6-3-4-8-19(17)22-21(26)24(14-16-9-10-16)15-18-7-5-13-27-18/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3,(H,22,26).
What are the key properties of 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 74251491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).