3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide

C14H22N2O2 — CID 82153364

IUPAC3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
SMILESCCCOc1ccc(CCC(=O)N(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-9-18-13-7-5-11(10-12(13)15)6-8-14(17)16(2)3/h5,7,10H,4,6,8-9,15H2,1-3H3
InChIKeyARQNHTKOJWMNSM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds6

About 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide

3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide (PubChem CID 82153364) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
PubChem CID82153364
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
SMILESCCCOc1ccc(CCC(=O)N(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-9-18-13-7-5-11(10-12(13)15)6-8-14(17)16(2)3/h5,7,10H,4,6,8-9,15H2,1-3H3
InChIKeyARQNHTKOJWMNSM-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
CID 82153398
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
CID 39131014
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
CID 94760274
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 94759139
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide (CID 82153364) is 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide is CCCOc1ccc(CCC(=O)N(C)C)cc1N.
What is the InChIKey of 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide?
The InChIKey is ARQNHTKOJWMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-18-13-7-5-11(10-12(13)15)6-8-14(17)16(2)3/h5,7,10H,4,6,8-9,15H2,1-3H3.
What are the key properties of 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide?
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 82153364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).