N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide

C24H32N6O — CID 90006117

IUPACN-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
SMILESO=C(CN1CCNCCNCCNCC1)NCc1nc2ccccc2c2ccccc12
InChIInChI=1S/C24H32N6O/c31-24(18-30-15-13-26-11-9-25-10-12-27-14-16-30)28-17-23-21-7-2-1-5-19(21)20-6-3-4-8-22(20)29-23/h1-8,25-27H,9-18H2,(H,28,31)
InChIKeyRVGWYZPINWWGPH-UHFFFAOYSA-N
MW420.56 g/mol
LogP1.09
Rot. Bonds4

About N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide

N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide (PubChem CID 90006117) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide.

Molecular Properties

Compound NameN-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
PubChem CID90006117
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
SMILESO=C(CN1CCNCCNCCNCC1)NCc1nc2ccccc2c2ccccc12
InChIInChI=1S/C24H32N6O/c31-24(18-30-15-13-26-11-9-25-10-12-27-14-16-30)28-17-23-21-7-2-1-5-19(21)20-6-3-4-8-22(20)29-23/h1-8,25-27H,9-18H2,(H,28,31)
InChIKeyRVGWYZPINWWGPH-UHFFFAOYSA-N
XLogP1.09
TPSA81.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4,10-bis[2-(methylamino)-2-oxoethyl]-7-[2-oxo-2-(phenanthridin-6-ylmethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-methylacetamide;terbium(4+)
CID 140636001
N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 172895290
N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide
CID 122208556
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
CID 106896052
2-piperazin-1-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61283155
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-indolo[3,2-b]quinoxalin-6-yl-N-(2-piperazin-1-ylethyl)acetamide
CID 39070975
2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
CID 62838988

Frequently Asked Questions

What is the IUPAC name of N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
The IUPAC name of N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide (CID 90006117) is N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide.
What is the SMILES notation for N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
The canonical SMILES for N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide is O=C(CN1CCNCCNCCNCC1)NCc1nc2ccccc2c2ccccc12.
What is the InChIKey of N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
The InChIKey is RVGWYZPINWWGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c31-24(18-30-15-13-26-11-9-25-10-12-27-14-16-30)28-17-23-21-7-2-1-5-19(21)20-6-3-4-8-22(20)29-23/h1-8,25-27H,9-18H2,(H,28,31).
What are the key properties of N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide has a molecular weight of 420.56 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide is sourced from PubChem (CID 90006117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).