4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

C19H28N4O2 — CID 119885631

IUPAC4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(CNCC1CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C19H28N4O2/c24-18(14-20-13-15-3-4-15)22-17-7-5-16(6-8-17)19(25)21-9-12-23-10-1-2-11-23/h5-8,15,20H,1-4,9-14H2,(H,21,25)(H,22,24)
InChIKeyNCDOSZZKTGGQAU-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.45
Rot. Bonds9

About 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 119885631) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID119885631
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(CNCC1CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C19H28N4O2/c24-18(14-20-13-15-3-4-15)22-17-7-5-16(6-8-17)19(25)21-9-12-23-10-1-2-11-23/h5-8,15,20H,1-4,9-14H2,(H,21,25)(H,22,24)
InChIKeyNCDOSZZKTGGQAU-UHFFFAOYSA-N
XLogP1.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119953883
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 119885631) is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(CNCC1CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is NCDOSZZKTGGQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(14-20-13-15-3-4-15)22-17-7-5-16(6-8-17)19(25)21-9-12-23-10-1-2-11-23/h5-8,15,20H,1-4,9-14H2,(H,21,25)(H,22,24).
What are the key properties of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 119885631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).