(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide

C14H20ClN3O3 — CID 51928333

IUPAC(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClN3O3/c1-4-7-16-13(19)9(2)17-14(20)18-11-8-10(15)5-6-12(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t9-/m0/s1
InChIKeyLMOAMYABZRGHGE-VIFPVBQESA-N
MW313.79 g/mol
LogP2.38
Rot. Bonds6

About (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 51928333) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
PubChem CID51928333
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClN3O3/c1-4-7-16-13(19)9(2)17-14(20)18-11-8-10(15)5-6-12(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t9-/m0/s1
InChIKeyLMOAMYABZRGHGE-VIFPVBQESA-N
XLogP2.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
CID 61184596
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61184240
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide (CID 51928333) is (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is LMOAMYABZRGHGE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-4-7-16-13(19)9(2)17-14(20)18-11-8-10(15)5-6-12(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide?
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 313.79 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 51928333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).