N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

C29H39N5O2 — CID 10767359

IUPACN-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCCCN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C29H39N5O2/c1-3-4-14-34(23(2)35)21-25(19-24-20-30-28-13-9-8-12-27(24)28)31-29(36)22-32-15-17-33(18-16-32)26-10-6-5-7-11-26/h5-13,20,25,30H,3-4,14-19,21-22H2,1-2H3,(H,31,36)
InChIKeyMTGQTFWECVYJBZ-UHFFFAOYSA-N
MW489.66 g/mol
LogP3.67
Rot. Bonds11

About N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 10767359) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID10767359
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC NameN-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCCCN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C29H39N5O2/c1-3-4-14-34(23(2)35)21-25(19-24-20-30-28-13-9-8-12-27(24)28)31-29(36)22-32-15-17-33(18-16-32)26-10-6-5-7-11-26/h5-13,20,25,30H,3-4,14-19,21-22H2,1-2H3,(H,31,36)
InChIKeyMTGQTFWECVYJBZ-UHFFFAOYSA-N
XLogP3.67
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 10767359) is N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is CCCCN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is MTGQTFWECVYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-3-4-14-34(23(2)35)21-25(19-24-20-30-28-13-9-8-12-27(24)28)31-29(36)22-32-15-17-33(18-16-32)26-10-6-5-7-11-26/h5-13,20,25,30H,3-4,14-19,21-22H2,1-2H3,(H,31,36).
What are the key properties of N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 489.66 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 10767359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).