N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C14H21N3O2 — CID 112624398

IUPACN-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNc1cccc(NC(=O)CCN2CCC(CO)C2)c1
InChIInChI=1S/C14H21N3O2/c15-12-2-1-3-13(8-12)16-14(19)5-7-17-6-4-11(9-17)10-18/h1-3,8,11,18H,4-7,9-10,15H2,(H,16,19)
InChIKeyBFELFKCJCQZZPR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.91
Rot. Bonds5

About N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 112624398) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID112624398
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNc1cccc(NC(=O)CCN2CCC(CO)C2)c1
InChIInChI=1S/C14H21N3O2/c15-12-2-1-3-13(8-12)16-14(19)5-7-17-6-4-11(9-17)10-18/h1-3,8,11,18H,4-7,9-10,15H2,(H,16,19)
InChIKeyBFELFKCJCQZZPR-UHFFFAOYSA-N
XLogP0.91
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875
N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62372087
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150
N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79665814
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
CID 112629319

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 112624398) is N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is Nc1cccc(NC(=O)CCN2CCC(CO)C2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is BFELFKCJCQZZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-2-1-3-13(8-12)16-14(19)5-7-17-6-4-11(9-17)10-18/h1-3,8,11,18H,4-7,9-10,15H2,(H,16,19).
What are the key properties of N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 112624398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).