2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide

C18H30N2O2 — CID 119311275

IUPAC2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-5-6-17(19)18(21)20-14(4)15-7-9-16(10-8-15)22-12-11-13(2)3/h7-10,13-14,17H,5-6,11-12,19H2,1-4H3,(H,20,21)
InChIKeyUPDSUEFOZYCQTO-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.42
Rot. Bonds9

About 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide

2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide (PubChem CID 119311275) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
PubChem CID119311275
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-5-6-17(19)18(21)20-14(4)15-7-9-16(10-8-15)22-12-11-13(2)3/h7-10,13-14,17H,5-6,11-12,19H2,1-4H3,(H,20,21)
InChIKeyUPDSUEFOZYCQTO-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide (CID 119311275) is 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide?
The InChIKey is UPDSUEFOZYCQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-6-17(19)18(21)20-14(4)15-7-9-16(10-8-15)22-12-11-13(2)3/h7-10,13-14,17H,5-6,11-12,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide?
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide has a molecular weight of 306.45 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide is sourced from PubChem (CID 119311275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).