N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide

C20H24N2O3 — CID 60552825

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-3-15(2)22-19(23)12-13-21-20(24)16-8-7-11-18(14-16)25-17-9-5-4-6-10-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySGNUUNKUKUURPX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.51
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide (PubChem CID 60552825) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
PubChem CID60552825
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-3-15(2)22-19(23)12-13-21-20(24)16-8-7-11-18(14-16)25-17-9-5-4-6-10-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySGNUUNKUKUURPX-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide (CID 60552825) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide is CCC(C)NC(=O)CCNC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide?
The InChIKey is SGNUUNKUKUURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-15(2)22-19(23)12-13-21-20(24)16-8-7-11-18(14-16)25-17-9-5-4-6-10-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide is sourced from PubChem (CID 60552825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).