N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide

C22H23N5O2 — CID 177379092

IUPACN-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCNC(=O)C(Cc1cn(-c2ccccc2)nn1)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c1-23-20(28)19(14-17-15-27(26-25-17)18-10-6-3-7-11-18)24-21(29)22(12-13-22)16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,23,28)(H,24,29)
InChIKeyMWPZIHNAFGBGBH-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.77
Rot. Bonds7

About N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide

N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 177379092) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID177379092
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCNC(=O)C(Cc1cn(-c2ccccc2)nn1)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c1-23-20(28)19(14-17-15-27(26-25-17)18-10-6-3-7-11-18)24-21(29)22(12-13-22)16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,23,28)(H,24,29)
InChIKeyMWPZIHNAFGBGBH-UHFFFAOYSA-N
XLogP1.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide (CID 177379092) is N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide is CNC(=O)C(Cc1cn(-c2ccccc2)nn1)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is MWPZIHNAFGBGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-20(28)19(14-17-15-27(26-25-17)18-10-6-3-7-11-18)24-21(29)22(12-13-22)16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,23,28)(H,24,29).
What are the key properties of N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxo-3-(1-phenyltriazol-4-yl)propan-2-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 177379092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).