(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide

C14H30N2O4 — CID 119303457

IUPAC(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide
SMILESCC(C)OCCOCC(O)CN(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H30N2O4/c1-10(2)13(15)14(18)16(5)8-12(17)9-19-6-7-20-11(3)4/h10-13,17H,6-9,15H2,1-5H3/t12?,13-/m0/s1
InChIKeyUTOQXWPMAGMRMK-ABLWVSNPSA-N
MW290.40 g/mol
LogP0.23
Rot. Bonds10

About (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide

(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide (PubChem CID 119303457) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide
PubChem CID119303457
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide
SMILESCC(C)OCCOCC(O)CN(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H30N2O4/c1-10(2)13(15)14(18)16(5)8-12(17)9-19-6-7-20-11(3)4/h10-13,17H,6-9,15H2,1-5H3/t12?,13-/m0/s1
InChIKeyUTOQXWPMAGMRMK-ABLWVSNPSA-N
XLogP0.23
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododecan-10-yl)butan-1-one
CID 3763341
(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
CID 767043
2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide
CID 56831844
(2S)-2-amino-N-[(2S)-2,3-dihydroxypropyl]-3,3-dimethylbutanamide
CID 58124388
(2S)-2-amino-N-[(2R)-2,3-dihydroxypropyl]-3,3-dimethylbutanamide
CID 58124419
(2S)-N-(2,3-dihydroxypropyl)-3-methyl-2-(methylamino)butanamide
CID 59986552
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide
CID 66171235
2-amino-N-(2,3-dihydroxypropyl)-N,3,3-trimethylbutanamide
CID 87430813
2-amino-N-[(2R)-2-hydroxypropyl]-3-methylbutanamide
CID 88333830
2-amino-N-[(2S)-2,3-dihydroxypropyl]-3-methylbutanamide
CID 88333832
N-[3-(2-hydroxyethoxy)butan-2-yl]-2-methyl-2-(2-methylpropanoylamino)propanamide
CID 89037469
2-amino-N-[(2S)-2,3-dihydroxypropyl]-3,3-dimethylbutanamide
CID 89148480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide (CID 119303457) is (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide is CC(C)OCCOCC(O)CN(C)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide?
The InChIKey is UTOQXWPMAGMRMK-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-10(2)13(15)14(18)16(5)8-12(17)9-19-6-7-20-11(3)4/h10-13,17H,6-9,15H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide has a molecular weight of 290.40 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 119303457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).