N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide

C15H23N3O2 — CID 62851864

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-16-9-12(2)15(20)18-11-14(19)17-10-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLOOYMUKHBFBORT-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.66
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide

N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62851864) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62851864
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-16-9-12(2)15(20)18-11-14(19)17-10-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLOOYMUKHBFBORT-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 62838380
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
CID 65227019
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
CID 10979254
4-[[2-(benzylamino)-2-oxoethyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992924
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-amino-N-[2-(benzylamino)-2-oxoethyl]butanediamide
CID 60971806
3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384852
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
(2S)-2-benzyl-3-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]butanamide
CID 97215411

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide (CID 62851864) is N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is LOOYMUKHBFBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-16-9-12(2)15(20)18-11-14(19)17-10-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide?
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62851864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).