N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide

C10H18N2O3 — CID 79270267

IUPACN-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)C(OC)OC
InChIInChI=1S/C10H18N2O3/c1-5-6-11-7-9(13)12-8(2)10(14-3)15-4/h1,8,10-11H,6-7H2,2-4H3,(H,12,13)
InChIKeyWASGLZSXQIAHTQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.67
Rot. Bonds7

About N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide

N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79270267) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79270267
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)C(OC)OC
InChIInChI=1S/C10H18N2O3/c1-5-6-11-7-9(13)12-8(2)10(14-3)15-4/h1,8,10-11H,6-7H2,2-4H3,(H,12,13)
InChIKeyWASGLZSXQIAHTQ-UHFFFAOYSA-N
XLogP-0.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79270679
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 78912815
2-methyl-6-[[2-(prop-2-ynylamino)acetyl]amino]heptanoic acid
CID 79271455
N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
CID 79287630
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
N-(2-methoxyethoxy)-2-(prop-2-ynylamino)acetamide
CID 82723059
N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide
CID 112722340
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide (CID 79270267) is N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC(C)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is WASGLZSXQIAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-6-11-7-9(13)12-8(2)10(14-3)15-4/h1,8,10-11H,6-7H2,2-4H3,(H,12,13).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide?
N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 214.26 g/mol, XLogP of -0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79270267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).