4-amino-N-(3,4-dipropoxyphenyl)pentanamide

C17H28N2O3 — CID 120558926

IUPAC4-amino-N-(3,4-dipropoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)CCC(C)N)cc1OCCC
InChIInChI=1S/C17H28N2O3/c1-4-10-21-15-8-7-14(12-16(15)22-11-5-2)19-17(20)9-6-13(3)18/h7-8,12-13H,4-6,9-11,18H2,1-3H3,(H,19,20)
InChIKeyMKFJYBDHMQMCRW-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.33
Rot. Bonds10

About 4-amino-N-(3,4-dipropoxyphenyl)pentanamide

4-amino-N-(3,4-dipropoxyphenyl)pentanamide (PubChem CID 120558926) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-amino-N-(3,4-dipropoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dipropoxyphenyl)pentanamide
PubChem CID120558926
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-amino-N-(3,4-dipropoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)CCC(C)N)cc1OCCC
InChIInChI=1S/C17H28N2O3/c1-4-10-21-15-8-7-14(12-16(15)22-11-5-2)19-17(20)9-6-13(3)18/h7-8,12-13H,4-6,9-11,18H2,1-3H3,(H,19,20)
InChIKeyMKFJYBDHMQMCRW-UHFFFAOYSA-N
XLogP3.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dipropoxyphenyl)pentanamide?
The IUPAC name of 4-amino-N-(3,4-dipropoxyphenyl)pentanamide (CID 120558926) is 4-amino-N-(3,4-dipropoxyphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3,4-dipropoxyphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(3,4-dipropoxyphenyl)pentanamide is CCCOc1ccc(NC(=O)CCC(C)N)cc1OCCC.
What is the InChIKey of 4-amino-N-(3,4-dipropoxyphenyl)pentanamide?
The InChIKey is MKFJYBDHMQMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-10-21-15-8-7-14(12-16(15)22-11-5-2)19-17(20)9-6-13(3)18/h7-8,12-13H,4-6,9-11,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-(3,4-dipropoxyphenyl)pentanamide?
4-amino-N-(3,4-dipropoxyphenyl)pentanamide has a molecular weight of 308.42 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dipropoxyphenyl)pentanamide is sourced from PubChem (CID 120558926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).