3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide

C18H27N3O3 — CID 113117399

IUPAC3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)CC1CCCO1
InChIInChI=1S/C18H27N3O3/c1-14(22)21(13-17-5-4-12-24-17)11-10-18(23)19-15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-13H2,1-3H3,(H,19,23)
InChIKeyRJWRGOPWPDKBAU-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.11
Rot. Bonds7

About 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide

3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 113117399) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID113117399
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)CC1CCCO1
InChIInChI=1S/C18H27N3O3/c1-14(22)21(13-17-5-4-12-24-17)11-10-18(23)19-15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-13H2,1-3H3,(H,19,23)
InChIKeyRJWRGOPWPDKBAU-UHFFFAOYSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113117423
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113117440
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113117359
5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93019723
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
3-(4-cyanophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25348927
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
CID 56527051

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide (CID 113117399) is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)CC1CCCO1.
What is the InChIKey of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is RJWRGOPWPDKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(22)21(13-17-5-4-12-24-17)11-10-18(23)19-15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-13H2,1-3H3,(H,19,23).
What are the key properties of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 113117399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).