N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride

C20H30ClN3O2 — CID 119743408

IUPACN-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)CNCC2CC2)cc1)C1CCCCC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-23(18-5-3-2-4-6-18)20(25)16-9-11-17(12-10-16)22-19(24)14-21-13-15-7-8-15;/h9-12,15,18,21H,2-8,13-14H2,1H3,(H,22,24);1H
InChIKeyJFUTVQULFBMEAE-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.45
Rot. Bonds7

About N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride

N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride (PubChem CID 119743408) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
PubChem CID119743408
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)CNCC2CC2)cc1)C1CCCCC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-23(18-5-3-2-4-6-18)20(25)16-9-11-17(12-10-16)22-19(24)14-21-13-15-7-8-15;/h9-12,15,18,21H,2-8,13-14H2,1H3,(H,22,24);1H
InChIKeyJFUTVQULFBMEAE-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55978627
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride (CID 119743408) is N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride is CN(C(=O)c1ccc(NC(=O)CNCC2CC2)cc1)C1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride?
The InChIKey is JFUTVQULFBMEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-23(18-5-3-2-4-6-18)20(25)16-9-11-17(12-10-16)22-19(24)14-21-13-15-7-8-15;/h9-12,15,18,21H,2-8,13-14H2,1H3,(H,22,24);1H.
What are the key properties of N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride?
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119743408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).