N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide

C16H22N4O — CID 61070466

IUPACN-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide
SMILESCN(CCCN)C(=O)CCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-19(11-5-9-17)15(21)8-12-20-13-10-18-16(20)14-6-3-2-4-7-14/h2-4,6-7,10,13H,5,8-9,11-12,17H2,1H3
InChIKeyOICKBPLZHDENID-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.75
Rot. Bonds7

About N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide

N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide (PubChem CID 61070466) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide
PubChem CID61070466
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide
SMILESCN(CCCN)C(=O)CCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-19(11-5-9-17)15(21)8-12-20-13-10-18-16(20)14-6-3-2-4-7-14/h2-4,6-7,10,13H,5,8-9,11-12,17H2,1H3
InChIKeyOICKBPLZHDENID-UHFFFAOYSA-N
XLogP1.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide (CID 61070466) is N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide is CN(CCCN)C(=O)CCn1ccnc1-c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide?
The InChIKey is OICKBPLZHDENID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(11-5-9-17)15(21)8-12-20-13-10-18-16(20)14-6-3-2-4-7-14/h2-4,6-7,10,13H,5,8-9,11-12,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide?
N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide is sourced from PubChem (CID 61070466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).