N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

C22H27N3O2 — CID 108511179

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCc1cccc(CN)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H27N3O2/c1-15(19-10-9-18-7-2-3-8-20(18)12-19)25-22(27)21(26)24-14-17-6-4-5-16(11-17)13-23/h4-6,9-12,15H,2-3,7-8,13-14,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyPNXLVOHZWUIZRU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.52
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 108511179) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID108511179
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCc1cccc(CN)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H27N3O2/c1-15(19-10-9-18-7-2-3-8-20(18)12-19)25-22(27)21(26)24-14-17-6-4-5-16(11-17)13-23/h4-6,9-12,15H,2-3,7-8,13-14,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyPNXLVOHZWUIZRU-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-(2,3-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511155
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543
N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511270
N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511215
1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108901376
N-[2-oxo-2-[[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396624

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 108511179) is N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is CC(NC(=O)C(=O)NCc1cccc(CN)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is PNXLVOHZWUIZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(19-10-9-18-7-2-3-8-20(18)12-19)25-22(27)21(26)24-14-17-6-4-5-16(11-17)13-23/h4-6,9-12,15H,2-3,7-8,13-14,23H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 365.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 108511179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).