3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide

C19H29N3O3 — CID 96998499

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-21(15-17-10-6-7-13-25-17)18(23)11-12-20-19(24)22(2)14-16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyGAGYZROLXXICJC-KRWDZBQOSA-N
MW347.46 g/mol
LogP2.25
Rot. Bonds7

About 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide (PubChem CID 96998499) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
PubChem CID96998499
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-21(15-17-10-6-7-13-25-17)18(23)11-12-20-19(24)22(2)14-16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyGAGYZROLXXICJC-KRWDZBQOSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86826801
1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 124615784
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442803
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
CID 61436258
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide (CID 96998499) is 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide is CN(C[C@@H]1CCCCO1)C(=O)CCNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
The InChIKey is GAGYZROLXXICJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(15-17-10-6-7-13-25-17)18(23)11-12-20-19(24)22(2)14-16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide is sourced from PubChem (CID 96998499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).