CID 174022615

C19H37BN4O4 — CID 174022615

IUPAC—
SMILES[B]C(=O)CNC(=O)[C@H](CCCCN(CCC)CCC)NC(=O)[C@@H](NO)C(C)C
InChIInChI=1S/C19H37BN4O4/c1-5-10-24(11-6-2)12-8-7-9-15(18(26)21-13-16(20)25)22-19(27)17(23-28)14(3)4/h14-15,17,23,28H,5-13H2,1-4H3,(H,21,26)(H,22,27)/t15-,17-/m0/s1
InChIKeyIXIOHNYPUZXMDH-RDJZCZTQSA-N
MW396.34 g/mol
LogP0.58
Rot. Bonds16

About CID 174022615

CID 174022615 (PubChem CID 174022615) has the molecular formula C19H37BN4O4 and a molecular weight of 396.34 g/mol.

Molecular Properties

Compound NameCID 174022615
PubChem CID174022615
Molecular FormulaC19H37BN4O4
Molecular Weight396.34 g/mol
Exact Mass396.29
IUPAC Name—
SMILES[B]C(=O)CNC(=O)[C@H](CCCCN(CCC)CCC)NC(=O)[C@@H](NO)C(C)C
InChIInChI=1S/C19H37BN4O4/c1-5-10-24(11-6-2)12-8-7-9-15(18(26)21-13-16(20)25)22-19(27)17(23-28)14(3)4/h14-15,17,23,28H,5-13H2,1-4H3,(H,21,26)(H,22,27)/t15-,17-/m0/s1
InChIKeyIXIOHNYPUZXMDH-RDJZCZTQSA-N
XLogP0.58
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-(dibutylamino)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-N-(2-oxopropyl)hexanamide
CID 171408305
CID 174022636
CID 174022636
methyl N-[(2S)-1-[[(2S)-6-(dipropylamino)-1-oxo-1-[[2-oxo-2-[(2-oxo-3-phenylpropyl)amino]ethyl]amino]hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 176887544
(2S)-N-(2-cyclopropyl-2-oxoethyl)-2-[[(2S)-2-[6-(2-cyclopropylpyrimidin-5-yl)hex-5-ynoylamino]-3-methylbutanoyl]amino]-6-(dipropylamino)hexanamide
CID 178047081
(2S)-6-(dipropylamino)-2-[[(2S)-3-methyl-2-[6-(2-methylsulfonylpyrimidin-5-yl)hex-5-ynoylamino]butanoyl]amino]-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]hexanamide
CID 170604549
3-amino-4-[[1-[[6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 18254313
(2R)-6-[bis[(2R)-2-hydroxypropyl]amino]-N-[(3S)-7-[bis[(2R)-2-hydroxypropyl]amino]-2-oxoheptan-3-yl]-2-methylhexanamide
CID 118606214
15-methyl-N,N-dipropylhexadecan-1-amine
CID 139724040
7-methyl-N,N-dipropyloctan-1-amine
CID 140640733
2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 176762728
tert-butyl N-[(2S)-6-amino-1-[2-[di(tetradecyl)amino]ethylamino]-1-oxohexan-2-yl]carbamate
CID 123484392
2-[[6-amino-2-[(2-amino-3-methylbutanoyl)amino]hexanoyl]amino]acetic acid
CID 18232429

Frequently Asked Questions

What is the IUPAC name of CID 174022615?
The IUPAC name of CID 174022615 (CID 174022615) is not available.
What is the SMILES notation for CID 174022615?
The canonical SMILES for CID 174022615 is [B]C(=O)CNC(=O)[C@H](CCCCN(CCC)CCC)NC(=O)[C@@H](NO)C(C)C.
What is the InChIKey of CID 174022615?
The InChIKey is IXIOHNYPUZXMDH-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H37BN4O4/c1-5-10-24(11-6-2)12-8-7-9-15(18(26)21-13-16(20)25)22-19(27)17(23-28)14(3)4/h14-15,17,23,28H,5-13H2,1-4H3,(H,21,26)(H,22,27)/t15-,17-/m0/s1.
What are the key properties of CID 174022615?
CID 174022615 has a molecular weight of 396.34 g/mol, XLogP of 0.58, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174022615 is sourced from PubChem (CID 174022615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).