N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide

C18H29N3O3 — CID 95353394

IUPACN,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide
SMILESCC[C@@H](C)[C@@H](O)CNC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C18H29N3O3/c1-5-13(4)16(22)12-19-18(24)20-15-10-8-14(9-11-15)17(23)21(6-2)7-3/h8-11,13,16,22H,5-7,12H2,1-4H3,(H2,19,20,24)/t13-,16+/m1/s1
InChIKeyTUGDTFCZZAAJOA-CJNGLKHVSA-N
MW335.45 g/mol
LogP2.70
Rot. Bonds8

About N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide

N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide (PubChem CID 95353394) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide
PubChem CID95353394
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide
SMILESCC[C@@H](C)[C@@H](O)CNC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C18H29N3O3/c1-5-13(4)16(22)12-19-18(24)20-15-10-8-14(9-11-15)17(23)21(6-2)7-3/h8-11,13,16,22H,5-7,12H2,1-4H3,(H2,19,20,24)/t13-,16+/m1/s1
InChIKeyTUGDTFCZZAAJOA-CJNGLKHVSA-N
XLogP2.70
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methylpentyl)-3-(4-nitrophenyl)urea
CID 111119441
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
CID 8684090
4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide
CID 55695542
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide (CID 95353394) is N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide is CC[C@@H](C)[C@@H](O)CNC(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide?
The InChIKey is TUGDTFCZZAAJOA-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-5-13(4)16(22)12-19-18(24)20-15-10-8-14(9-11-15)17(23)21(6-2)7-3/h8-11,13,16,22H,5-7,12H2,1-4H3,(H2,19,20,24)/t13-,16+/m1/s1.
What are the key properties of N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide?
N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide has a molecular weight of 335.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide is sourced from PubChem (CID 95353394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).