2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide

C16H26N4O2 — CID 119439131

IUPAC2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide
SMILESCCCCC(NC(N)=O)C(=O)Nc1ccccc1CNCC
InChIInChI=1S/C16H26N4O2/c1-3-5-9-14(20-16(17)22)15(21)19-13-10-7-6-8-12(13)11-18-4-2/h6-8,10,14,18H,3-5,9,11H2,1-2H3,(H,19,21)(H3,17,20,22)
InChIKeyWDTDJHSKOPCSJH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.96
Rot. Bonds9

About 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide

2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide (PubChem CID 119439131) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide
PubChem CID119439131
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide
SMILESCCCCC(NC(N)=O)C(=O)Nc1ccccc1CNCC
InChIInChI=1S/C16H26N4O2/c1-3-5-9-14(20-16(17)22)15(21)19-13-10-7-6-8-12(13)11-18-4-2/h6-8,10,14,18H,3-5,9,11H2,1-2H3,(H,19,21)(H3,17,20,22)
InChIKeyWDTDJHSKOPCSJH-UHFFFAOYSA-N
XLogP1.96
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 40799363
3-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]-2-methylpropanamide
CID 119439505
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide
CID 94200899
[(2S)-6-amino-1-(2-methylanilino)-1-oxohexan-2-yl]carbamic acid
CID 91260086
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide (CID 119439131) is 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide is CCCCC(NC(N)=O)C(=O)Nc1ccccc1CNCC.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide?
The InChIKey is WDTDJHSKOPCSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-5-9-14(20-16(17)22)15(21)19-13-10-7-6-8-12(13)11-18-4-2/h6-8,10,14,18H,3-5,9,11H2,1-2H3,(H,19,21)(H3,17,20,22).
What are the key properties of 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide?
2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide has a molecular weight of 306.41 g/mol, XLogP of 1.96, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide is sourced from PubChem (CID 119439131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).