N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride

C19H25ClN4O2 — CID 119438626

IUPACN-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)CNC(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-3-20-12-15-7-5-9-17(11-15)22-18(24)13-21-19(25)23-16-8-4-6-14(2)10-16;/h4-11,20H,3,12-13H2,1-2H3,(H,22,24)(H2,21,23,25);1H
InChIKeyYXSIIZDYMXLDRB-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.29
Rot. Bonds7

About N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride (PubChem CID 119438626) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
PubChem CID119438626
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)CNC(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-3-20-12-15-7-5-9-17(11-15)22-18(24)13-21-19(25)23-16-8-4-6-14(2)10-16;/h4-11,20H,3,12-13H2,1-2H3,(H,22,24)(H2,21,23,25);1H
InChIKeyYXSIIZDYMXLDRB-UHFFFAOYSA-N
XLogP3.29
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride (CID 119438626) is N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride is CCNCc1cccc(NC(=O)CNC(=O)Nc2cccc(C)c2)c1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
The InChIKey is YXSIIZDYMXLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-3-20-12-15-7-5-9-17(11-15)22-18(24)13-21-19(25)23-16-8-4-6-14(2)10-16;/h4-11,20H,3,12-13H2,1-2H3,(H,22,24)(H2,21,23,25);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.29, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride is sourced from PubChem (CID 119438626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).