4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide

C17H26N2O2 — CID 120561181

IUPAC4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC(N)CCC(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C17H26N2O2/c1-14(18)9-10-17(20)19(13-16-8-5-11-21-16)12-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13,18H2,1H3
InChIKeyUIGZVYCOYOKAFK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds7

About 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide

4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 120561181) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID120561181
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC(N)CCC(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C17H26N2O2/c1-14(18)9-10-17(20)19(13-16-8-5-11-21-16)12-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13,18H2,1H3
InChIKeyUIGZVYCOYOKAFK-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
CID 120562594
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 9153527
5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 82850780
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide (CID 120561181) is 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide is CC(N)CCC(=O)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is UIGZVYCOYOKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(18)9-10-17(20)19(13-16-8-5-11-21-16)12-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13,18H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide?
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 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-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 120561181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).