N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide

C16H25N3O2 — CID 115598404

IUPACN-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)NCC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-18-15(20)10-17-13(4)16(21)19-14-7-5-12(3)6-8-14/h5-8,11,13,17H,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyCDYOVXDLFZZCMT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.68
Rot. Bonds7

About N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide

N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide (PubChem CID 115598404) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
PubChem CID115598404
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)NCC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-18-15(20)10-17-13(4)16(21)19-14-7-5-12(3)6-8-14/h5-8,11,13,17H,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyCDYOVXDLFZZCMT-UHFFFAOYSA-N
XLogP1.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8771858
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
CID 115745528
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443102
N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 113228551
ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696183

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide (CID 115598404) is N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide is Cc1ccc(NC(=O)C(C)NCC(=O)NCC(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is CDYOVXDLFZZCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)9-18-15(20)10-17-13(4)16(21)19-14-7-5-12(3)6-8-14/h5-8,11,13,17H,9-10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 115598404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).