4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide

C14H21N3O2 — CID 60732797

IUPAC4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
SMILESCCNC(=O)C(C)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H21N3O2/c1-4-16-13(18)10(2)17-9-11-5-7-12(8-6-11)14(19)15-3/h5-8,10,17H,4,9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyCUYARDWRRDTMIU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.66
Rot. Bonds6

About 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide

4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide (PubChem CID 60732797) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
PubChem CID60732797
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
SMILESCCNC(=O)C(C)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H21N3O2/c1-4-16-13(18)10(2)17-9-11-5-7-12(8-6-11)14(19)15-3/h5-8,10,17H,4,9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyCUYARDWRRDTMIU-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61068703
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CID 115626105
4-[[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125960
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
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CID 47116390
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
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CID 114898130
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
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N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
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N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43308095

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide (CID 60732797) is 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide is CCNC(=O)C(C)NCc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide?
The InChIKey is CUYARDWRRDTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16-13(18)10(2)17-9-11-5-7-12(8-6-11)14(19)15-3/h5-8,10,17H,4,9H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide?
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 60732797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).