3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide

C16H27N3O2 — CID 62624331

IUPAC3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(N(CCCN)CCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-13(2)18-16(20)9-12-19(11-4-10-17)14-5-7-15(21-3)8-6-14/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20)
InChIKeyZWIMWDAOVVYHID-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.77
Rot. Bonds9

About 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide

3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide (PubChem CID 62624331) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
PubChem CID62624331
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(N(CCCN)CCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-13(2)18-16(20)9-12-19(11-4-10-17)14-5-7-15(21-3)8-6-14/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20)
InChIKeyZWIMWDAOVVYHID-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
CID 43319129
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 43318743
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045

Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide (CID 62624331) is 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide is COc1ccc(N(CCCN)CCC(=O)NC(C)C)cc1.
What is the InChIKey of 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide?
The InChIKey is ZWIMWDAOVVYHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)18-16(20)9-12-19(11-4-10-17)14-5-7-15(21-3)8-6-14/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide?
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62624331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).