2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide

C12H27N3O2 — CID 81081227

IUPAC2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H27N3O2/c1-9(2)15(10(3)4)7-6-14-12(16)11(13)8-17-5/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyPHKXOSFMRJXBOD-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.20
Rot. Bonds8

About 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide

2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide (PubChem CID 81081227) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
PubChem CID81081227
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H27N3O2/c1-9(2)15(10(3)4)7-6-14-12(16)11(13)8-17-5/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyPHKXOSFMRJXBOD-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
methyl 4-[(2-amino-3-methoxypropanoyl)amino]butanoate
CID 81089164
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
CID 79282466
5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
CID 81088250
4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
CID 107836180
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide (CID 81081227) is 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide is COCC(N)C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide?
The InChIKey is PHKXOSFMRJXBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-9(2)15(10(3)4)7-6-14-12(16)11(13)8-17-5/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide?
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide has a molecular weight of 245.37 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81081227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).