(2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate

C21H29N3O3 — CID 21087217

IUPAC(2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)C(OC(=O)N(O)CCCNCc1ccccn1)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-21(2,3)19(17-10-5-4-6-11-17)27-20(25)24(26)15-9-13-22-16-18-12-7-8-14-23-18/h4-8,10-12,14,19,22,26H,9,13,15-16H2,1-3H3
InChIKeySIBHJTPETUCRKV-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.18
Rot. Bonds8

About (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate

(2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate (PubChem CID 21087217) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate
PubChem CID21087217
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)C(OC(=O)N(O)CCCNCc1ccccn1)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-21(2,3)19(17-10-5-4-6-11-17)27-20(25)24(26)15-9-13-22-16-18-12-7-8-14-23-18/h4-8,10-12,14,19,22,26H,9,13,15-16H2,1-3H3
InChIKeySIBHJTPETUCRKV-UHFFFAOYSA-N
XLogP4.18
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
anisole;2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carboxylic acid
CID 161275558

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate?
The IUPAC name of (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate (CID 21087217) is (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate.
What is the SMILES notation for (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate?
The canonical SMILES for (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate is CC(C)(C)C(OC(=O)N(O)CCCNCc1ccccn1)c1ccccc1.
What is the InChIKey of (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate?
The InChIKey is SIBHJTPETUCRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-21(2,3)19(17-10-5-4-6-11-17)27-20(25)24(26)15-9-13-22-16-18-12-7-8-14-23-18/h4-8,10-12,14,19,22,26H,9,13,15-16H2,1-3H3.
What are the key properties of (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate?
(2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate has a molecular weight of 371.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-phenylpropyl) N-hydroxy-N-[3-(pyridin-2-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 21087217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).