N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide

C19H29N3O2 — CID 131911889

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCCC2)cc1NC(=O)CN(C)C
InChIInChI=1S/C19H29N3O2/c1-14-10-11-16(12-17(14)21-18(23)13-22(2)3)20-19(24)15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyUZELZZISLWXKEJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.40
Rot. Bonds5

About N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide

N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide (PubChem CID 131911889) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
PubChem CID131911889
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCCC2)cc1NC(=O)CN(C)C
InChIInChI=1S/C19H29N3O2/c1-14-10-11-16(12-17(14)21-18(23)13-22(2)3)20-19(24)15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyUZELZZISLWXKEJ-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,9aR)-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
CID 131951702
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid
CID 154912847
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide
CID 131941436
N-[3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 55711571
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
CID 118764190
N-[3-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 46487284
N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22776748
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide (CID 131911889) is N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide is Cc1ccc(NC(=O)C2CCCCCC2)cc1NC(=O)CN(C)C.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide?
The InChIKey is UZELZZISLWXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-10-11-16(12-17(14)21-18(23)13-22(2)3)20-19(24)15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide?
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide is sourced from PubChem (CID 131911889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).