N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide

C28H31N5O2 — CID 91064580

IUPACN-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)cc2)C1
InChIInChI=1S/C28H31N5O2/c1-3-27(34)29-21-15-16-32(18-21)22-12-9-19(10-13-22)30-28(35)31-20-11-14-26-24(17-20)23-7-5-6-8-25(23)33(26)4-2/h5-14,17,21H,3-4,15-16,18H2,1-2H3,(H,29,34)(H2,30,31,35)
InChIKeyPTOURWQFQFSXCZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.56
Rot. Bonds6

About N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide

N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide (PubChem CID 91064580) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
PubChem CID91064580
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)cc2)C1
InChIInChI=1S/C28H31N5O2/c1-3-27(34)29-21-15-16-32(18-21)22-12-9-19(10-13-22)30-28(35)31-20-11-14-26-24(17-20)23-7-5-6-8-25(23)33(26)4-2/h5-14,17,21H,3-4,15-16,18H2,1-2H3,(H,29,34)(H2,30,31,35)
InChIKeyPTOURWQFQFSXCZ-UHFFFAOYSA-N
XLogP5.56
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide (CID 91064580) is N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide is CCC(=O)NC1CCN(c2ccc(NC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)cc2)C1.
What is the InChIKey of N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
The InChIKey is PTOURWQFQFSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-3-27(34)29-21-15-16-32(18-21)22-12-9-19(10-13-22)30-28(35)31-20-11-14-26-24(17-20)23-7-5-6-8-25(23)33(26)4-2/h5-14,17,21H,3-4,15-16,18H2,1-2H3,(H,29,34)(H2,30,31,35).
What are the key properties of N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide has a molecular weight of 469.59 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 91064580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).