4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide

C13H19N3O3 — CID 94811602

IUPAC4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@@H](C)COC)cc1
InChIInChI=1S/C13H19N3O3/c1-9(8-19-3)15-13(18)16-11-6-4-10(5-7-11)12(17)14-2/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)/t9-/m0/s1
InChIKeySUBXKMUTZCNHMO-VIFPVBQESA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds5

About 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide

4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide (PubChem CID 94811602) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
PubChem CID94811602
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@@H](C)COC)cc1
InChIInChI=1S/C13H19N3O3/c1-9(8-19-3)15-13(18)16-11-6-4-10(5-7-11)12(17)14-2/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)/t9-/m0/s1
InChIKeySUBXKMUTZCNHMO-VIFPVBQESA-N
XLogP1.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
CID 94820739
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47202620
1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 64606150
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
methyl 4-(pentan-2-ylcarbamoylamino)benzoate
CID 47039918

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide?
The IUPAC name of 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide (CID 94811602) is 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)N[C@@H](C)COC)cc1.
What is the InChIKey of 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide?
The InChIKey is SUBXKMUTZCNHMO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(8-19-3)15-13(18)16-11-6-4-10(5-7-11)12(17)14-2/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)/t9-/m0/s1.
What are the key properties of 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide?
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 94811602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).