N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide

C15H23N3O2 — CID 61407133

IUPACN-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
SMILESNc1ccc(NC(=O)CCCN2CCCC2CO)cc1
InChIInChI=1S/C15H23N3O2/c16-12-5-7-13(8-6-12)17-15(20)4-2-10-18-9-1-3-14(18)11-19/h5-8,14,19H,1-4,9-11,16H2,(H,17,20)
InChIKeyLRAVVRQBBDKEKV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds6

About N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide

N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide (PubChem CID 61407133) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
PubChem CID61407133
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
SMILESNc1ccc(NC(=O)CCCN2CCCC2CO)cc1
InChIInChI=1S/C15H23N3O2/c16-12-5-7-13(8-6-12)17-15(20)4-2-10-18-9-1-3-14(18)11-19/h5-8,14,19H,1-4,9-11,16H2,(H,17,20)
InChIKeyLRAVVRQBBDKEKV-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407328
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
CID 111103086
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide (CID 61407133) is N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide is Nc1ccc(NC(=O)CCCN2CCCC2CO)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is LRAVVRQBBDKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-12-5-7-13(8-6-12)17-15(20)4-2-10-18-9-1-3-14(18)11-19/h5-8,14,19H,1-4,9-11,16H2,(H,17,20).
What are the key properties of N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide?
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 61407133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).