N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide

C15H21N3O2 — CID 69490721

IUPACN-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
SMILESCN(C)CC1(c2ccc(C(=O)NCC(N)=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-18(2)10-15(7-8-15)12-5-3-11(4-6-12)14(20)17-9-13(16)19/h3-6H,7-10H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyMSRIGSXHSAQGNJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.49
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide

N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide (PubChem CID 69490721) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
PubChem CID69490721
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
SMILESCN(C)CC1(c2ccc(C(=O)NCC(N)=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-18(2)10-15(7-8-15)12-5-3-11(4-6-12)14(20)17-9-13(16)19/h3-6H,7-10H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyMSRIGSXHSAQGNJ-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
CID 71438252
CID 71438252
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 173174589
N-[4-[1-[[carbamoyl(methyl)amino]methyl]cyclopropyl]phenyl]-2-phenylacetamide
CID 173174709

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide (CID 69490721) is N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide is CN(C)CC1(c2ccc(C(=O)NCC(N)=O)cc2)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
The InChIKey is MSRIGSXHSAQGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(2)10-15(7-8-15)12-5-3-11(4-6-12)14(20)17-9-13(16)19/h3-6H,7-10H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide is sourced from PubChem (CID 69490721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).