N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

C24H32N4O3 — CID 4992551

IUPACN-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O3/c1-4-17(2)25-23(29)19-16-18(12-13-21(19)28-14-8-5-9-15-28)26-24(30)27-20-10-6-7-11-22(20)31-3/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyALNLXMKBHYWDGH-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.86
Rot. Bonds7

About N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 4992551) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID4992551
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O3/c1-4-17(2)25-23(29)19-16-18(12-13-21(19)28-14-8-5-9-15-28)26-24(30)27-20-10-6-7-11-22(20)31-3/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyALNLXMKBHYWDGH-UHFFFAOYSA-N
XLogP4.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4042669
N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065146
5-[(2-bromophenyl)carbamoylamino]-N-[(2S)-butan-2-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1065353
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-2,6-dimethoxybenzamide
CID 1059204
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066972
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
N-butan-2-yl-5-[(3-chlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3251085
N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065117
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 4992551) is N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1N1CCCCC1.
What is the InChIKey of N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is ALNLXMKBHYWDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-17(2)25-23(29)19-16-18(12-13-21(19)28-14-8-5-9-15-28)26-24(30)27-20-10-6-7-11-22(20)31-3/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 424.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4992551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).