N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide

C15H23ClN2O2 — CID 84613813

IUPACN-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCCCN)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-2-10-20-14-6-4-12(11-13(14)16)5-7-15(19)18-9-3-8-17/h4,6,11H,2-3,5,7-10,17H2,1H3,(H,18,19)
InChIKeyHPNRWGUBGIPBTC-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.53
Rot. Bonds9

About N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide

N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide (PubChem CID 84613813) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
PubChem CID84613813
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCCCN)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-2-10-20-14-6-4-12(11-13(14)16)5-7-15(19)18-9-3-8-17/h4,6,11H,2-3,5,7-10,17H2,1H3,(H,18,19)
InChIKeyHPNRWGUBGIPBTC-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.53
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

3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide (CID 84613813) is N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide is CCCOc1ccc(CCC(=O)NCCCN)cc1Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide?
The InChIKey is HPNRWGUBGIPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-2-10-20-14-6-4-12(11-13(14)16)5-7-15(19)18-9-3-8-17/h4,6,11H,2-3,5,7-10,17H2,1H3,(H,18,19).
What are the key properties of N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide?
N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide has a molecular weight of 298.81 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide is sourced from PubChem (CID 84613813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).