2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride

C20H25ClN4O2 — CID 119725688

IUPAC2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-14-7-10-17(23-20(26)22-16-5-3-2-4-6-16)11-18(14)24-19(25)13-21-12-15-8-9-15;/h2-7,10-11,15,21H,8-9,12-13H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyDLWHPOPAEAZTDI-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.00
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride (PubChem CID 119725688) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride
PubChem CID119725688
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-14-7-10-17(23-20(26)22-16-5-3-2-4-6-16)11-18(14)24-19(25)13-21-12-15-8-9-15;/h2-7,10-11,15,21H,8-9,12-13H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyDLWHPOPAEAZTDI-UHFFFAOYSA-N
XLogP4.00
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
methyl 2-[3-[2-methyl-5-(phenylcarbamoylamino)anilino]-3-oxopropyl]sulfanylacetate
CID 56568185
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55762936
2-[(3-methylcyclopentyl)methylamino]-N-(2-methylphenyl)acetamide
CID 107412858
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride (CID 119725688) is 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride?
The InChIKey is DLWHPOPAEAZTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c1-14-7-10-17(23-20(26)22-16-5-3-2-4-6-16)11-18(14)24-19(25)13-21-12-15-8-9-15;/h2-7,10-11,15,21H,8-9,12-13H2,1H3,(H,24,25)(H2,22,23,26);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 4.00, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119725688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).