(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide

C16H30N2O3 — CID 103831500

IUPAC(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C16H30N2O3/c1-2-3-8-15(17)16(19)18(11-13-6-4-9-20-13)12-14-7-5-10-21-14/h13-15H,2-12,17H2,1H3/t13?,14?,15-/m0/s1
InChIKeyCQPACNWPWXAJLD-NRXISQOPSA-N
MW298.43 g/mol
LogP1.69
Rot. Bonds8

About (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide

(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide (PubChem CID 103831500) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
PubChem CID103831500
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C16H30N2O3/c1-2-3-8-15(17)16(19)18(11-13-6-4-9-20-13)12-14-7-5-10-21-14/h13-15H,2-12,17H2,1H3/t13?,14?,15-/m0/s1
InChIKeyCQPACNWPWXAJLD-NRXISQOPSA-N
XLogP1.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 107569428
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 80543187
5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 82850780
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61435818
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide (CID 103831500) is (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide is CCCC[C@H](N)C(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
The InChIKey is CQPACNWPWXAJLD-NRXISQOPSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-3-8-15(17)16(19)18(11-13-6-4-9-20-13)12-14-7-5-10-21-14/h13-15H,2-12,17H2,1H3/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide has a molecular weight of 298.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 103831500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).