3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide

C12H23N3O3 — CID 112701684

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)CNCC1CC1
InChIInChI=1S/C12H23N3O3/c1-18-7-6-15-11(16)4-5-14-12(17)9-13-8-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyZWFMKBPTTDRLKJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.75
Rot. Bonds10

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide

3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 112701684) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID112701684
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)CNCC1CC1
InChIInChI=1S/C12H23N3O3/c1-18-7-6-15-11(16)4-5-14-12(17)9-13-8-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyZWFMKBPTTDRLKJ-UHFFFAOYSA-N
XLogP-0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 64913466
N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119743684
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738495
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 63298890
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide (CID 112701684) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(=O)CNCC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is ZWFMKBPTTDRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-18-7-6-15-11(16)4-5-14-12(17)9-13-8-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.33 g/mol, XLogP of -0.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112701684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).