N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide

C17H26ClN3O2 — CID 164638174

IUPACN-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)CN(C)C)cc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-5-6-7-16(22)20-15-9-8-13(10-14(15)18)19-17(23)12(2)11-21(3)4/h8-10,12H,5-7,11H2,1-4H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyKINCDVJLXKELKL-LBPRGKRZSA-N
MW339.87 g/mol
LogP3.60
Rot. Bonds8

About N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide

N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide (PubChem CID 164638174) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide
PubChem CID164638174
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)CN(C)C)cc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-5-6-7-16(22)20-15-9-8-13(10-14(15)18)19-17(23)12(2)11-21(3)4/h8-10,12H,5-7,11H2,1-4H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyKINCDVJLXKELKL-LBPRGKRZSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide
CID 168543326
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-chloro-3-sulfanylphenyl)pentanamide
CID 4713020
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-[2-chloro-4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168607949
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
CID 107809829
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)octanamide
CID 134045874

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide?
The IUPAC name of N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide (CID 164638174) is N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide.
What is the SMILES notation for N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide?
The canonical SMILES for N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide is CCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)CN(C)C)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide?
The InChIKey is KINCDVJLXKELKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-5-6-7-16(22)20-15-9-8-13(10-14(15)18)19-17(23)12(2)11-21(3)4/h8-10,12H,5-7,11H2,1-4H3,(H,19,23)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide?
N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide has a molecular weight of 339.87 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide is sourced from PubChem (CID 164638174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).