N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide

C16H22N2O3 — CID 43050302

IUPACN-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)NCC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-14-7-5-13(6-8-14)16(20)18-10-15(19)17-9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMLGRGDVRAKZEEL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.73
Rot. Bonds7

About N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide (PubChem CID 43050302) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
PubChem CID43050302
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)NCC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-14-7-5-13(6-8-14)16(20)18-10-15(19)17-9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMLGRGDVRAKZEEL-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42964960
4-[[(2-benzamidoacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 8022651
N-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24549297

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide (CID 43050302) is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(=O)NCC2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
The InChIKey is MLGRGDVRAKZEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)21-14-7-5-13(6-8-14)16(20)18-10-15(19)17-9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 43050302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).