4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide

C18H27N3O2 — CID 119738250

IUPAC4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-4-18(2,3)21-17(23)14-7-9-15(10-8-14)20-16(22)12-19-11-13-5-6-13/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyASIBSRACCBEMLK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds8

About 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide

4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 119738250) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID119738250
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-4-18(2,3)21-17(23)14-7-9-15(10-8-14)20-16(22)12-19-11-13-5-6-13/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyASIBSRACCBEMLK-UHFFFAOYSA-N
XLogP2.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738252
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631
2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 119738250) is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is ASIBSRACCBEMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-18(2,3)21-17(23)14-7-9-15(10-8-14)20-16(22)12-19-11-13-5-6-13/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 119738250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).