N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide

C17H28N2O — CID 43135930

IUPACN-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
SMILESCCCCC(CC)C(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-10-15(4-2)17(20)19(14-9-13-18)16-11-7-6-8-12-16/h6-8,11-12,15H,3-5,9-10,13-14,18H2,1-2H3
InChIKeySDZZNHRHYOYRFR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.58
Rot. Bonds9

About N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide

N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide (PubChem CID 43135930) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
PubChem CID43135930
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
SMILESCCCCC(CC)C(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-10-15(4-2)17(20)19(14-9-13-18)16-11-7-6-8-12-16/h6-8,11-12,15H,3-5,9-10,13-14,18H2,1-2H3
InChIKeySDZZNHRHYOYRFR-UHFFFAOYSA-N
XLogP3.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide?
The IUPAC name of N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide (CID 43135930) is N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide?
The canonical SMILES for N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide is CCCCC(CC)C(=O)N(CCCN)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide?
The InChIKey is SDZZNHRHYOYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-10-15(4-2)17(20)19(14-9-13-18)16-11-7-6-8-12-16/h6-8,11-12,15H,3-5,9-10,13-14,18H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide?
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide is sourced from PubChem (CID 43135930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).