N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide

C19H23N3O2 — CID 60571690

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(18(23)20-13-15-7-5-4-6-8-15)21-19(24)16-9-11-17(12-10-16)22(2)3/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyHDVKGUAXRXGVKU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.19
Rot. Bonds6

About N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide (PubChem CID 60571690) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
PubChem CID60571690
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(18(23)20-13-15-7-5-4-6-8-15)21-19(24)16-9-11-17(12-10-16)22(2)3/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyHDVKGUAXRXGVKU-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
N-[[4-(dimethylamino)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51221756
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 172677364
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
CID 60571715
N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55869460
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide (CID 60571690) is N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide is CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide?
The InChIKey is HDVKGUAXRXGVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(18(23)20-13-15-7-5-4-6-8-15)21-19(24)16-9-11-17(12-10-16)22(2)3/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 60571690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).