4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide

C18H28N2O2 — CID 120562594

IUPAC4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCC(N)CCC(=O)N(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-15(19)7-8-18(21)20(13-16-5-3-2-4-6-16)14-17-9-11-22-12-10-17/h2-6,15,17H,7-14,19H2,1H3
InChIKeyITVZNHVUOYAQKO-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds7

About 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide

4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide (PubChem CID 120562594) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
PubChem CID120562594
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCC(N)CCC(=O)N(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-15(19)7-8-18(21)20(13-16-5-3-2-4-6-16)14-17-9-11-22-12-10-17/h2-6,15,17H,7-14,19H2,1H3
InChIKeyITVZNHVUOYAQKO-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
2-amino-N-benzyl-3-methoxy-N-(oxan-4-ylmethyl)propanamide;hydrochloride
CID 120989782
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
N-benzyl-2-(4-hydroxyphenyl)sulfanyl-N-(oxan-4-ylmethyl)acetamide
CID 71855116
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide?
The IUPAC name of 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide (CID 120562594) is 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide?
The canonical SMILES for 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide is CC(N)CCC(=O)N(Cc1ccccc1)CC1CCOCC1.
What is the InChIKey of 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide?
The InChIKey is ITVZNHVUOYAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(19)7-8-18(21)20(13-16-5-3-2-4-6-16)14-17-9-11-22-12-10-17/h2-6,15,17H,7-14,19H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide?
4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide has a molecular weight of 304.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide is sourced from PubChem (CID 120562594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).