2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride

C13H21ClN4O2 — CID 119704527

IUPAC2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(NC(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-9(2)15-13(19)17-11-6-4-10(5-7-11)16-12(18)8-14-3;/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H2,15,17,19);1H
InChIKeyOVRQREHFSGHAKX-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.80
Rot. Bonds5

About 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride

2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride (PubChem CID 119704527) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
PubChem CID119704527
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(NC(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-9(2)15-13(19)17-11-6-4-10(5-7-11)16-12(18)8-14-3;/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H2,15,17,19);1H
InChIKeyOVRQREHFSGHAKX-UHFFFAOYSA-N
XLogP1.80
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119740075
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3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
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1-(4-bromophenyl)-3-propan-2-ylurea
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2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
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CID 38166746
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride (CID 119704527) is 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1ccc(NC(=O)NC(C)C)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
The InChIKey is OVRQREHFSGHAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-9(2)15-13(19)17-11-6-4-10(5-7-11)16-12(18)8-14-3;/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H2,15,17,19);1H.
What are the key properties of 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119704527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).