N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide

C19H27N3O2 — CID 173174589

IUPACN-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
SMILESCC(CNC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1)C(N)=O
InChIInChI=1S/C19H27N3O2/c1-14(17(20)23)12-21-18(24)15-4-6-16(7-5-15)19(8-9-19)13-22-10-2-3-11-22/h4-7,14H,2-3,8-13H2,1H3,(H2,20,23)(H,21,24)
InChIKeyWZKCNYWGTGSKJZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.67
Rot. Bonds7

About N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide

N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide (PubChem CID 173174589) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
PubChem CID173174589
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
SMILESCC(CNC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1)C(N)=O
InChIInChI=1S/C19H27N3O2/c1-14(17(20)23)12-21-18(24)15-4-6-16(7-5-15)19(8-9-19)13-22-10-2-3-11-22/h4-7,14H,2-3,8-13H2,1H3,(H2,20,23)(H,21,24)
InChIKeyWZKCNYWGTGSKJZ-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69491991
N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69440556
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
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
CID 173179794
N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 18448015
3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide
CID 11214541
2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
CID 18447622
3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
CID 69490721

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The IUPAC name of N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide (CID 173174589) is N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The canonical SMILES for N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide is CC(CNC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1)C(N)=O.
What is the InChIKey of N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The InChIKey is WZKCNYWGTGSKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(17(20)23)12-21-18(24)15-4-6-16(7-5-15)19(8-9-19)13-22-10-2-3-11-22/h4-7,14H,2-3,8-13H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide is sourced from PubChem (CID 173174589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).