N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide

C19H29N3O — CID 69491991

IUPACN-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
SMILESCC(C)(CN)NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-18(2,13-20)21-17(23)15-5-7-16(8-6-15)19(9-10-19)14-22-11-3-4-12-22/h5-8H,3-4,9-14,20H2,1-2H3,(H,21,23)
InChIKeyMLQZUQFIJWBFMN-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.28
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide

N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide (PubChem CID 69491991) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
PubChem CID69491991
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
SMILESCC(C)(CN)NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-18(2,13-20)21-17(23)15-5-7-16(8-6-15)19(9-10-19)14-22-11-3-4-12-22/h5-8H,3-4,9-14,20H2,1-2H3,(H,21,23)
InChIKeyMLQZUQFIJWBFMN-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 173174589
N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69440556
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179790
4-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179783
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127
N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
CID 173179794
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 166236360
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 119523306

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide (CID 69491991) is N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide is CC(C)(CN)NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The InChIKey is MLQZUQFIJWBFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-18(2,13-20)21-17(23)15-5-7-16(8-6-15)19(9-10-19)14-22-11-3-4-12-22/h5-8H,3-4,9-14,20H2,1-2H3,(H,21,23).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide has a molecular weight of 315.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide is sourced from PubChem (CID 69491991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).