(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide

C15H23ClN4O2 — CID 94194163

IUPAC(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H23ClN4O2/c1-5-9-17-14(21)10(2)18-15(22)19-12-8-6-7-11(16)13(12)20(3)4/h6-8,10H,5,9H2,1-4H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1
InChIKeyFWLJHSOEISAUPI-JTQLQIEISA-N
MW326.83 g/mol
LogP2.44
Rot. Bonds6

About (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide

(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide (PubChem CID 94194163) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
PubChem CID94194163
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H23ClN4O2/c1-5-9-17-14(21)10(2)18-15(22)19-12-8-6-7-11(16)13(12)20(3)4/h6-8,10H,5,9H2,1-4H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1
InChIKeyFWLJHSOEISAUPI-JTQLQIEISA-N
XLogP2.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
CID 103813583
(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
CID 61154949
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
2-chloro-6-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63724324
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103609
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide (CID 94194163) is (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide?
The InChIKey is FWLJHSOEISAUPI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-5-9-17-14(21)10(2)18-15(22)19-12-8-6-7-11(16)13(12)20(3)4/h6-8,10H,5,9H2,1-4H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide?
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide has a molecular weight of 326.83 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 94194163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).