N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C19H28N4O2 — CID 47074742

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)21-19(25)20-11-14-3-5-15(6-4-14)18(24)22-16-9-10-23(12-16)17-7-8-17/h3-6,13,16-17H,7-12H2,1-2H3,(H,22,24)(H2,20,21,25)
InChIKeySRNKZAHPHFRHLW-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.86
Rot. Bonds6

About N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 47074742) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID47074742
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)21-19(25)20-11-14-3-5-15(6-4-14)18(24)22-16-9-10-23(12-16)17-7-8-17/h3-6,13,16-17H,7-12H2,1-2H3,(H,22,24)(H2,20,21,25)
InChIKeySRNKZAHPHFRHLW-UHFFFAOYSA-N
XLogP1.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9274115
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 119491018
4-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111920075
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
CID 94796573
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
N-[4-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111918254

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 47074742) is N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC(C)NC(=O)NCc1ccc(C(=O)NC2CCN(C3CC3)C2)cc1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is SRNKZAHPHFRHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)21-19(25)20-11-14-3-5-15(6-4-14)18(24)22-16-9-10-23(12-16)17-7-8-17/h3-6,13,16-17H,7-12H2,1-2H3,(H,22,24)(H2,20,21,25).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 47074742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).