5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide

C26H35N5O4 — CID 3321862

IUPAC5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCN3CCOCC3)c2)cc1
InChIInChI=1S/C26H35N5O4/c1-34-22-8-5-20(6-9-22)28-26(33)29-21-7-10-24(31-13-2-3-14-31)23(19-21)25(32)27-11-4-12-30-15-17-35-18-16-30/h5-10,19H,2-4,11-18H2,1H3,(H,27,32)(H2,28,29,33)
InChIKeyFWTABNQWRPQIQD-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.39
Rot. Bonds9

About 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide

5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 3321862) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID3321862
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCN3CCOCC3)c2)cc1
InChIInChI=1S/C26H35N5O4/c1-34-22-8-5-20(6-9-22)28-26(33)29-21-7-10-24(31-13-2-3-14-31)23(19-21)25(32)27-11-4-12-30-15-17-35-18-16-30/h5-10,19H,2-4,11-18H2,1H3,(H,27,32)(H2,28,29,33)
InChIKeyFWTABNQWRPQIQD-UHFFFAOYSA-N
XLogP3.39
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064693
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
5-(benzylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3442546
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42751400
5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42752910
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide (CID 3321862) is 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide is COc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCN3CCOCC3)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FWTABNQWRPQIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-34-22-8-5-20(6-9-22)28-26(33)29-21-7-10-24(31-13-2-3-14-31)23(19-21)25(32)27-11-4-12-30-15-17-35-18-16-30/h5-10,19H,2-4,11-18H2,1H3,(H,27,32)(H2,28,29,33).
What are the key properties of 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 481.60 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 3321862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).