2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide

C19H30N2O3 — CID 119750018

IUPAC2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1
InChIInChI=1S/C19H30N2O3/c1-4-14(2)17(20)18(22)21-13-19(9-11-24-12-10-19)15-5-7-16(23-3)8-6-15/h5-8,14,17H,4,9-13,20H2,1-3H3,(H,21,22)
InChIKeyWQKJRYHWHKWBGU-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.23
Rot. Bonds7

About 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide

2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide (PubChem CID 119750018) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
PubChem CID119750018
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1
InChIInChI=1S/C19H30N2O3/c1-4-14(2)17(20)18(22)21-13-19(9-11-24-12-10-19)15-5-7-16(23-3)8-6-15/h5-8,14,17H,4,9-13,20H2,1-3H3,(H,21,22)
InChIKeyWQKJRYHWHKWBGU-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide (CID 119750018) is 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide?
The InChIKey is WQKJRYHWHKWBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-14(2)17(20)18(22)21-13-19(9-11-24-12-10-19)15-5-7-16(23-3)8-6-15/h5-8,14,17H,4,9-13,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide?
2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide has a molecular weight of 334.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide is sourced from PubChem (CID 119750018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).