N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide

C20H24N2O2 — CID 56541657

IUPACN-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
SMILESO=C(NCCCNc1ccccc1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H24N2O2/c23-20(22-14-4-13-21-18-5-2-1-3-6-18)17-9-11-19(12-10-17)24-15-16-7-8-16/h1-3,5-6,9-12,16,21H,4,7-8,13-15H2,(H,22,23)
InChIKeyQZSUSTLBZRANEU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds9

About N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide

N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide (PubChem CID 56541657) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
PubChem CID56541657
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
SMILESO=C(NCCCNc1ccccc1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H24N2O2/c23-20(22-14-4-13-21-18-5-2-1-3-6-18)17-9-11-19(12-10-17)24-15-16-7-8-16/h1-3,5-6,9-12,16,21H,4,7-8,13-15H2,(H,22,23)
InChIKeyQZSUSTLBZRANEU-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 95618513
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide
CID 123524583
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide?
The IUPAC name of N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide (CID 56541657) is N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide?
The canonical SMILES for N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide is O=C(NCCCNc1ccccc1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide?
The InChIKey is QZSUSTLBZRANEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(22-14-4-13-21-18-5-2-1-3-6-18)17-9-11-19(12-10-17)24-15-16-7-8-16/h1-3,5-6,9-12,16,21H,4,7-8,13-15H2,(H,22,23).
What are the key properties of N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide?
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 56541657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).