N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide

C16H25N3O2 — CID 114797242

IUPACN-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1)N1CCC(CCO)C1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-6-14(11-19)7-9-20)16(21)18-15-4-2-13(10-17)3-5-15/h2-5,12,14,20H,6-11,17H2,1H3,(H,18,21)
InChIKeyZKSZJXCDLZHHJG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide

N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide (PubChem CID 114797242) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
PubChem CID114797242
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1)N1CCC(CCO)C1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-6-14(11-19)7-9-20)16(21)18-15-4-2-13(10-17)3-5-15/h2-5,12,14,20H,6-11,17H2,1H3,(H,18,21)
InChIKeyZKSZJXCDLZHHJG-UHFFFAOYSA-N
XLogP1.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797183
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119922213
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
3-[1-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101314
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide (CID 114797242) is N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide is CC(C(=O)Nc1ccc(CN)cc1)N1CCC(CCO)C1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is ZKSZJXCDLZHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(19-8-6-14(11-19)7-9-20)16(21)18-15-4-2-13(10-17)3-5-15/h2-5,12,14,20H,6-11,17H2,1H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 114797242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).